├── +CEA ├── @Reactant │ └── Reactant.m ├── Clean.m ├── Run.m ├── UpdateLibs.m ├── bin │ ├── CEA600.exe │ ├── thermo.inp │ ├── thermo.lib │ ├── trans.inp │ └── trans.lib └── private │ ├── CheckRequiredInputs.m │ ├── Execute.m │ ├── ExtractData.m │ ├── GetPath.m │ ├── InitializeOptionalInputs.m │ ├── ReadInputs.m │ ├── ReadOutputs.m │ ├── ReadPossibleInputs.m │ ├── ReadRocketOutput.m │ ├── SplitInputs.m │ └── WriteRocketInput.m ├── .gitignore ├── README.md ├── RunTests.m ├── doc ├── Additional Thermo Data.txt ├── RP-1311-P2.pdf └── RP-1311.pdf └── tests ├── Rocket_1.m ├── Rocket_2.m ├── Rocket_3.m └── Rocket_4.m /+CEA/@Reactant/Reactant.m: -------------------------------------------------------------------------------- 1 | classdef Reactant 2 | % The CEA reactant class, which is used to create reactants 3 | 4 | % Set dependent (calculated) properties 5 | properties (SetAccess = protected) 6 | Formula 7 | Type 8 | Temperature 9 | Quantity 10 | Enthalpy 11 | end 12 | 13 | properties (Constant, Access = private) 14 | % pTable - This is the periodic table 15 | pTable = struct... 16 | (... 17 | 'E',5.4858e-4, ... Electron 18 | 'H',1.0079, ... 1 19 | 'D',2.014, ... 1 20 | 'He',4.0026, ... 2 21 | 'Li',6.941, ... 3 22 | 'Be',9.01218, ... 4 23 | 'B',10.81, ... 5 24 | 'C',12.011, ... 6 25 | 'N',14.007, ... 7 26 | 'O',15.999, ... 8 27 | 'F',18.998, ... 9 28 | 'Ne',20.180, ... 10 29 | 'Na',22.98977, ... 11 30 | 'Mg',24.305, ... 12 31 | 'Al',26.98154, ... 13 32 | 'Si',28.0855, ... 14 33 | 'P',30.974, ... 15 34 | 'S',32.06, ... 16 35 | 'Cl',34.45, ... 17 36 | 'Ar',39.948, ... 18 37 | 'K',39.0983, ... 19 38 | 'Ca',40.078, ... 20 39 | 'Sc',44.9559, ... 21 40 | 'Ti',47.867, ... 22 41 | 'V',50.9415, ... 23 42 | 'Cr',51.996, ... 24 43 | 'Mn',54.938, ... 25 44 | 'Fe',55.847, ... 26 45 | 'Co',58.9332, ... 27 46 | 'Ni',58.693, ... 28 47 | 'Cu',63.546, ... 29 48 | 'Zn',65.41, ... 30 49 | 'Ga',69.723, ... 31 50 | 'Ge',72.64, ... 32 51 | 'As',74.922, ... 33 52 | 'Se',78.96, ... 34 53 | 'Br',79.904, ... 35 54 | 'Kr',83.798, ... 36 55 | 'Rb',85.468, ... 37 56 | 'Sr',87.62, ... 38 57 | 'Y',88.9059, ... 39 58 | 'Zr',91.22, ... 40 59 | 'Nb',92.9064, ... 41 60 | 'Mo',95.94, ... 42 61 | 'Tc',97.91, ... 43 62 | 'Ru',101.07, ... 44 63 | 'Rh',102.9055, ... 45 64 | 'Pd',106.4, ... 46 65 | 'Ag',107.868, ... 47 66 | 'Cd',112.41, ... 48 67 | 'In',114.82, ... 49 68 | 'Sn',118.69, ... 50 69 | 'Sb',121.76, ... 51 70 | 'Te',127.60, ... 52 71 | 'I',126.90, ... 53 72 | 'Xe',131.29, ... 54 73 | 'Cs',132.91, ... 55 74 | 'Ba',139.33, ... 56 75 | 'La',138.9055, ... 57 76 | 'Ce',140.12, ... 58 77 | 'Pr',140.91, ... 59 78 | 'Nd',144.24, ... 60 79 | 'Pm',144.91, ... 61 80 | 'Sm',150.36, ... 62 81 | 'Eu',151.96, ... 63 82 | 'Gd',157.25, ... 64 83 | 'Tb',158.93, ... 65 84 | 'Dy',162.50, ... 66 85 | 'Ho',164.93, ... 67 86 | 'Er',167.26, ... 68 87 | 'Tm',168.93, ... 69 88 | 'Yb',173.05, ... 70 89 | 'Lu',174.97, ... 71 90 | 'Hf',178.49, ... 72 91 | 'Ta',180.95, ... 73 92 | 'W',183.84, ... 74 93 | 'Re',186.21, ... 75 94 | 'Os',190.23, ... 76 95 | 'Ir',192.22, ... 77 96 | 'Pt',195.08, ... 78 97 | 'Au',196.97, ... 79 98 | 'Hg',200.59, ... 80 99 | 'Tl',204.38, ... 81 100 | 'Pb',207.2, ... 82 101 | ... 102 | 'Rn',222.02, ... 86 103 | ... 104 | 'Th',232.04, ... 90 105 | 'Pa',231.0359, ... 91 106 | 'U',238.03 ... 92 107 | ); 108 | 109 | end 110 | 111 | methods (Static = true) 112 | function inputs = read_args(args, reqInps) 113 | 114 | % Define structure of inputs with default values, or just an empty 115 | % structure to be filled with whatever was entered 116 | inputs = struct(); 117 | 118 | % Verify that there are an even number of args 119 | if mod(size(args,2),2) 120 | error('CEA:ReadInputs',... 121 | 'Inputs must be valid name-value pairs'); 122 | else 123 | nargs = size(args,2)/2; 124 | end 125 | 126 | % Put input arguments into structure 127 | % Note: force all strings to lower case to inputs are not case 128 | % sensitive 129 | for i = 1:nargs 130 | flag = lower(args{2*(i-1)+1}); 131 | value = args{2*(i-1)+2}; 132 | inputs.(flag) = value; 133 | end 134 | 135 | for i = 1:length(reqInps) 136 | if ~isfield(inputs,lower(reqInps{i})) 137 | fprintf('Reactants require the following inputs:\n'); 138 | 139 | for j = 1:length(reqInps) 140 | fprintf(' %s',reqInps{j}); 141 | if i == j 142 | fprintf(' <-- Missing'); 143 | end 144 | fprintf('\n'); 145 | end 146 | 147 | error('Reactant:read_args',... 148 | 'Required input "%s" is missing',reqInps{i}); 149 | end 150 | end 151 | 152 | end 153 | 154 | function CEAPath = CEAPath() 155 | % Determine the path to the CEA package folder 156 | CEAPath = fullfile(fileparts(fileparts(which('CEA.Reactant'))),'bin'); 157 | end 158 | 159 | function [inINP,W,formula] = in_INP(formula) 160 | % Check whether the specie is in the INP file, get the molar 161 | % mass, and clean the formula name if it is not in the INP file 162 | 163 | CEAPath = CEA.Reactant.CEAPath(); 164 | inpFile = fullfile(CEAPath,'THERMO.INP'); 165 | 166 | fid = fopen(inpFile,'r'); 167 | 168 | tline = fgetl(fid); 169 | inINP = false; 170 | W = 0; 171 | 172 | while ischar(tline) 173 | if inINP 174 | eList = tline(11:50); 175 | 176 | for i = 1:5 % max elements per line in INP is 5 177 | eStr = upper(strtrim(eList(1:2))); 178 | eNum = str2double(strtrim(eList(3:8))); 179 | if isempty(eStr) 180 | break; 181 | end 182 | if length(eStr) > 1 183 | eStr(2:end) = lower(eStr(2:end)); 184 | end 185 | if isfield(CEA.Reactant.pTable,eStr) 186 | eW = CEA.Reactant.pTable.(eStr); 187 | else 188 | error('Reactant:in_INP',... 189 | 'Element "%s" missing from periodic table',... 190 | eStr); 191 | end 192 | W = W + eW*eNum; 193 | eList = eList(9:end); 194 | end 195 | W = DimVar(W,'g/mol'); 196 | return 197 | end 198 | if tline(1) ~= ' ' && tline(1) ~= '-' 199 | specieName = strtrim(tline(1:18)); 200 | if ~any(strcmpi(specieName,{'thermo','end reactants','end products'})); 201 | inINP = strcmpi(formula,specieName); 202 | end 203 | end 204 | tline = fgetl(fid); 205 | end 206 | 207 | fclose(fid); 208 | 209 | %If it gets here, formula was not found, attempt to read it 210 | str = formula; 211 | 212 | % If it is space-separated, element cases may be wrong, fix 213 | % here first (e.g. convert 'CO' to 'Co' rather than carbon 214 | % and oxygen 215 | if ~isempty(strfind(str,' ')) 216 | [elements,first,last] = regexp(str,'[A-Z][A-Z]?','match'); 217 | for e = 1:length(elements) 218 | if length(elements{e}) > 1 219 | elements{e}(2:end) = lower(elements{e}(2:end)); 220 | str(first(e):last(e)) = elements{e}; 221 | end 222 | end 223 | str(str==' ') = ''; 224 | end 225 | 226 | %Parse the string to get its chemical composition 227 | [elements,first,last] = regexp(str,'[A-Z][a-z]?','match'); 228 | 229 | first = [first length(str)+1]; 230 | Ne = length(elements); 231 | formula = ''; % Rebuild CEA formatted formula string 232 | for e = 1 : Ne 233 | if isfield(CEA.Reactant.pTable,elements{e}) 234 | 235 | % Find the numbers following the element 236 | nd = last(e)+1 : first(e+1)-1; 237 | 238 | formula = [formula, upper(elements{e}), ' ']; %#ok 239 | 240 | if isempty(nd) 241 | N = 1; 242 | formula = [formula, '1 ']; %#ok 243 | else 244 | N = str2double(str(nd)); 245 | formula = [formula, str(nd), ' ']; %#ok 246 | end 247 | 248 | 249 | W = W + N*CEA.Reactant.pTable.(elements{e}); 250 | else 251 | error('Reactant:in_INP',... 252 | 'Unable to interpret "%s" from string "%s"',... 253 | elements{e},str); 254 | end 255 | end 256 | formula = strtrim(formula); 257 | W = DimVar(W,'g/mol'); 258 | end 259 | 260 | end 261 | 262 | methods 263 | %------------------------------------------------------------------ 264 | function reac = Reactant(formula, varargin) 265 | 266 | % Check if specie is in the INP file, and get its molar mass 267 | [inINP,W,reac.Formula] = CEA.Reactant.in_INP(formula); 268 | 269 | if inINP 270 | requiredInputs = {'Q','T'}; 271 | else 272 | % TODO: does formula have to be formatted a certain way 273 | % if it is not in thermo.inp? 274 | requiredInputs = {'Q','T','E'}; 275 | end 276 | 277 | % Read the varargs and make sure all inputs are present 278 | as = CEA.Reactant.read_args(varargin, requiredInputs); 279 | 280 | % Set type to name if not provided 281 | if ~isfield(as,'type') 282 | as.type = 'name'; 283 | end 284 | 285 | % Interpret the Type argument based on its first letter 286 | types = struct('o','ox','f','fu','n','na'); 287 | if isfield(types,lower(as.type(1))) 288 | reac.Type = types.(lower(as.type(1))); 289 | else 290 | error('Reactant:Reactant',... 291 | ['Species type "%s" is not valid. Please use',... 292 | ' either fuel, oxidizer, or name as Type'],... 293 | as.type); 294 | end 295 | 296 | % Load the other inputs and test their units and class types 297 | try 298 | if ~isa(as.t,'DimVar') 299 | error('dummy error'); 300 | end 301 | as.t.Convert('K'); 302 | catch e 303 | error('Reactant:Temperature',... 304 | ['Temperature argument must be a DimVar with a',... 305 | ' valid temperature unit.']); 306 | end 307 | reac.Temperature = as.t; 308 | 309 | 310 | try 311 | if ~isa(as.q,'DimVar') 312 | error('dummy error'); 313 | end 314 | as.q.Convert('kg'); 315 | Q = as.q; 316 | catch e %#ok 317 | try 318 | if ~isa(as.q,'DimVar') 319 | error('dummy error'); 320 | end 321 | as.q.Convert('mol'); 322 | Q = as.q*W; 323 | catch e 324 | error('Reactant:Quantity',... 325 | ['Quantity argument must be a DimVar',... 326 | ' with a valid mass or molar unit.']); 327 | end 328 | end 329 | reac.Quantity = Q; 330 | 331 | if isfield(as,'e') 332 | try 333 | if ~isa(as.e,'DimVar') 334 | error('dummy error'); 335 | end 336 | as.e.Convert('J/mol'); 337 | catch e 338 | error('Reactant:Enthalpy',... 339 | ['Enthalpy argument must be a DimVar',... 340 | ' with a valid energy per mole unit.']); 341 | end 342 | reac.Enthalpy = as.e; 343 | end 344 | end 345 | 346 | % Define how the class is displayed 347 | %------------------------------------------------------------------ 348 | function disp(self) 349 | disp(self.Formula); 350 | end 351 | 352 | % ----------------------------------------------------------------- 353 | function str = writeString(self,totalMassKg) 354 | % Generate a string for CEA for this specie 355 | if ~isempty(self.Enthalpy) 356 | enthalpy_string = [' h,j/mol=' num2str(self.Enthalpy.Convert('J/mol'))]; 357 | else 358 | enthalpy_string=''; 359 | end 360 | str = [' ' self.Type ' = ' self.Formula enthalpy_string ' w%=' ... 361 | num2str(self.Quantity.Convert('kg')/totalMassKg) ' t(k)=' ... 362 | num2str(self.Temperature.Convert('K'))]; 363 | end 364 | end 365 | 366 | end 367 | 368 | 369 | 370 | 371 | 372 | 373 | 374 | 375 | -------------------------------------------------------------------------------- /+CEA/Clean.m: -------------------------------------------------------------------------------- 1 | function Clean() 2 | % Remove all generated files from CEA/bin folder 3 | CEAPath = GetPath(); 4 | files = dir(fullfile(CEAPath,'Detn.*')); 5 | for f = 1:length(files) 6 | delete(fullfile(CEAPath,files(f).name)); 7 | end 8 | 9 | i = 1; 10 | while isdir(fullfile(CEAPath,sprintf('%02d',i))) 11 | rmdir(fullfile(CEAPath,sprintf('%02d',i)),'s'); 12 | i = i + 1; 13 | end 14 | -------------------------------------------------------------------------------- /+CEA/Run.m: -------------------------------------------------------------------------------- 1 | function data = Run(reactants, varargin) 2 | % Build the problem input files, execute CEA, and read the results 3 | % 4 | % Inputs to the Run function are given in name, argument pairs. For example, 5 | % 6 | % data = CEA.Run(reactants, ... 7 | % 'ProblemType','Rocket', ... 8 | % 'Flow','eq', ... 9 | % 'Pc',DimVar([500 600 700],'psi'), ... 10 | % 'O/F',1, ... 11 | % 'Outputs',{'isp','t'}); 12 | % 13 | % The only input without a name is the first, which is an array of the 14 | % reactants. The reactants are defined using the CEA.Reactant class. 15 | % 16 | % The other possible inputs (names are not case-sensitive) are: 17 | % 18 | % ProblemType: Required input, only "rocket" is supported currently 19 | % 20 | % Flow: Required input for rocket problems, can be "equilibrium", 21 | % "frozen", or "not frozen". Shorthand notation is also 22 | % allowed, so "eq","fz","nfz",etc... 23 | % 24 | % CombLength: Optional input for rocket problems. Can be "fac" for 25 | % finite area combustor, or "inf" for infinite area (Default). 26 | % You cannot specify "fac" and "fz" together. 27 | % 28 | % Pc: Required input for rocket problems, this is the chamber 29 | % pressure. It must be a DimVar with pressure units. It can 30 | % be a single value, or an 1D array of values. 31 | % 32 | % O/F: This is a required input to specify the O/F ratio. It can 33 | % be a single value or a 1D array, but you cannot currently 34 | % set both Pc and O/F as arrays, only one can be an array. 35 | % 36 | % Outputs: This is a required input. It is a cell array of outputs 37 | % to return. Options are "isp", "T", and others. See the CEA 38 | % manual for a complete list. 39 | % 40 | % 41 | 42 | inputs = ReadInputs(varargin); 43 | 44 | % Make sure problem type was provided 45 | if ~isfield(inputs,'problemtype') 46 | % TODO: Complete list of problem types in error message 47 | error('CEA:Run',... 48 | ['A problem type must be specified. Valid options',... 49 | ' are "Rocket"']); 50 | end 51 | 52 | % Make sure outputs were specified 53 | if ~isfield(inputs,'outputs') 54 | error('CEA:Run',... 55 | ['A cell array of problem outputs must be provided.']); 56 | end 57 | 58 | % Configure the input file(s) based on the problem type. Possible 59 | % problem types are defined on page 12 of RP-1311-P2.pdf 60 | switch lower(inputs.problemtype) 61 | case {'rkt','rocket','ro'} 62 | CheckRequiredInputs(inputs,{'Pc','Flow'}); 63 | inputs.problemtype = 'rkt'; 64 | 65 | % TODO: Verify that all species are name, otherwise that both a 66 | % fuel and oxidizer are specified <- TGV: Is this true for all 67 | % problem types? If so, deal with in SplitInputs, not the 68 | % rocket problem case 69 | 70 | % TODO: Check for O/F or phi (not both) - determine # of CEA runs 71 | % required (incl output list too) <- TGV: Is this true for all 72 | % problem types? If so, deal with in SplitInputs, not the 73 | % rocket problem case 74 | 75 | % For multiple input files, break 'inputs' into an 76 | % array of structures here. 77 | inputs = SplitInputs(reactants, inputs, {'Pc'}); 78 | 79 | % Use function handles to set the writer and reader 80 | % functions here so we don't need another switch-case 81 | % structure later on 82 | ProblemWriter = @WriteRocketInput; 83 | DataParser = @ReadRocketOutput; 84 | 85 | case {'det','detn','detonation'} 86 | inputs.problemtype = 'det'; 87 | error('CEA:Run','Detonation problems not supported'); 88 | 89 | case {'tp','pt'} 90 | inputs.problemtype = 'tp'; 91 | error('CEA:Run','Assigned temperature and pressure problems not supported'); 92 | 93 | case {'hp','ph'} 94 | inputs.problemtype = 'hp'; 95 | error('CEA:Run','Assigned enthalpy and pressure problems not supported'); 96 | 97 | case {'sp','ps'} 98 | inputs.problemtype = 'sp'; 99 | error('CEA:Run','Assigned entropy and pressure problems not supported'); 100 | 101 | case {'tv','vt'} 102 | inputs.problemtype = 'tv'; 103 | error('CEA:Run','Assigned temperature and volume (or density) problems not supported'); 104 | 105 | case {'uv','vu'} 106 | inputs.problemtype = 'uv'; 107 | error('CEA:Run','Assigned internal energy and volume (or density) problems not supported'); 108 | 109 | case {'sv','vs'} 110 | inputs.problemtype = 'sv'; 111 | error('CEA:Run','Assigned entropy and volume (or density) problems not supported'); 112 | 113 | case {'sh','shock'} 114 | inputs.problemtype = 'sh'; 115 | error('CEA:Run','Shock problems not supported'); 116 | 117 | otherwise 118 | error('CEA:Run',... 119 | 'ProblemType type "%s" is not valid.',... 120 | inputs.problemtype); 121 | end 122 | 123 | % Clean bin folder and generate input files 124 | CEA.Clean(); 125 | CEAPath = GetPath(); 126 | 127 | if length(inputs) > 1 128 | for i = 1:length(inputs) 129 | str = ProblemWriter(reactants, inputs(i)); 130 | FID = fopen(fullfile(CEAPath,sprintf('Detn.inp.%1d',i)),'w'); 131 | fprintf(FID,'%s',str); 132 | fclose(FID); 133 | end 134 | else 135 | str = ProblemWriter(reactants, inputs); 136 | FID = fopen(fullfile(CEAPath,'Detn.inp'),'w'); 137 | fprintf(FID,'%s',str); 138 | fclose(FID); 139 | end 140 | 141 | % Run CEA 142 | Execute(); 143 | 144 | % Load the resulting data (reads the plt file(s)) 145 | raw = ReadOutputs(); 146 | data = DataParser(inputs, raw); 147 | 148 | % Clean the CEA generated files out 149 | CEA.Clean(); 150 | -------------------------------------------------------------------------------- /+CEA/UpdateLibs.m: -------------------------------------------------------------------------------- 1 | function UpdateLibs() 2 | % Update lib files from current inp files 3 | % 4 | % To get new thermodynamic and transport properties, go to the 5 | % CEA web site and download the most recent version of the CEA 6 | % GUI. Copy the 'thermo.inp' and 'trans.inp' files to the 7 | % '+CEA/bin' folder and call CEA.UpdateLibs(). You may have to 8 | % delete the header in the provided thermo.inp file so the 9 | % first line reads 'thermo' 10 | CEAPath = GetPath(); 11 | CEA.Clean(); 12 | copyfile(fullfile(CEAPath,'thermo.inp'),... 13 | fullfile(CEAPath,'Detn.inp')); 14 | Execute(); 15 | copyfile(fullfile(CEAPath,'trans.inp'),... 16 | fullfile(CEAPath,'Detn.inp')); 17 | Execute(); 18 | CEA.Clean(); -------------------------------------------------------------------------------- /+CEA/bin/CEA600.exe: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PurdueH2Lab/MatlabCEA/0dcd1ffb7ae30a8092a625b3395e1e32659d1cae/+CEA/bin/CEA600.exe -------------------------------------------------------------------------------- /+CEA/bin/thermo.lib: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PurdueH2Lab/MatlabCEA/0dcd1ffb7ae30a8092a625b3395e1e32659d1cae/+CEA/bin/thermo.lib -------------------------------------------------------------------------------- /+CEA/bin/trans.inp: -------------------------------------------------------------------------------- 1 | transport property coefficients 2 | Ar V3C3 BICH ET AL (1990) 3 | V 200.0 1000.0 0.61205763E 00-0.67714354E 02 0.19040660E 03 0.21588272E 01 4 | V 1000.0 5000.0 0.69357334E 00 0.70953943E 02-0.28386007E 05 0.14856447E 01 5 | V 5000.0 15000.0 0.76608935E+00 0.67867215E+03-0.84991417E+06 0.77935167E+00 6 | C 200.0 1000.0 0.60968928E 00-0.70892249E 02 0.58420624E 03 0.19337152E 01 7 | C 1000.0 5000.0 0.69075463E 00 0.62676058E 02-0.25667413E 05 0.12664189E 01 8 | C 5000.0 15000.0 0.76269502E+00 0.62341752E+03-0.71899552E+06 0.56927918E+00 9 | BCL3 V2C2 SVEHLA (1962) 10 | V 300.0 1000.0 0.52572590E 00-0.27803504E 03 0.19159256E 05 0.24373790E 01 11 | V 1000.0 5000.0 0.62929553E 00-0.60723560E 02-0.37711618E 05 0.15615047E 01 12 | C 300.0 1000.0 0.41518585E 00-0.48149960E 03 0.30788060E 05 0.33168239E 01 13 | C 1000.0 5000.0 0.61148589E 00-0.18167042E 03-0.20976969E 05 0.17127671E 01 14 | BF3 V2C2 SVEHLA (1962,1994) 15 | V 300.0 1000.0 0.58778079E 00-0.96213686E 02-0.37660007E 03 0.21035273E 01 16 | V 1000.0 5000.0 0.64430285E 00 0.73362845E 01-0.23890605E 05 0.16330508E 01 17 | C 300.0 1000.0 0.39288181E 00-0.53781426E 03 0.39023491E 05 0.42287006E 01 18 | C 1000.0 5000.0 0.60695214E 00-0.19889031E 03-0.23403767E 05 0.24734586E 01 19 | Br2 V2C2 SVEHLA (1962,1994) 20 | V 300.0 1000.0 0.45241871E 00-0.52542766E 03 0.61354230E 05 0.35322870E 01 21 | V 1000.0 5000.0 0.60111079E 00-0.22499274E 03-0.14517179E 05 0.22805949E 01 22 | C 300.0 1000.0 0.13579199E 00-0.80137295E 03 0.83046621E 05 0.48052172E 01 23 | C 1000.0 5000.0 0.13602376E 00-0.21904601E 04 0.77769913E 06 0.54980508E 01 24 | C V2C2 BIOLSI (1982) 25 | V 1000.0 5000.0 0.80124735E+00 0.17261643E+03-0.69940019E+05 0.88364870E-01 26 | V 5000.0 15000.0 0.10344416E+01 0.31310924E+04-0.45512020E+07-0.23102402E+01 27 | C 1000.0 5000.0 0.80224051E+00 0.17739617E+03-0.72350849E+05 0.10329911E+01 28 | C 5000.0 15000.0 0.10355137E+01 0.31489830E+04-0.45854028E+07-0.13676372E+01 29 | C O V1C0 CAPITELLI & FICOCELLI (1973) 30 | V 4000.0 15000.0 0.12635466E+01 0.46866528E+04-0.59789292E+07-0.43066246E+01 31 | CCLF3 V2C2 SVEHLA (1994) 32 | V 300.0 1000.0 0.57775962E 00-0.11595656E 03 0.13894846E 04 0.20719367E 01 33 | V 1000.0 5000.0 0.64278913E 00 0.18533422E 01-0.25000775E 05 0.15313091E 01 34 | C 300.0 1000.0 0.30701673E 00-0.58621120E 03 0.37562739E 05 0.45977739E 01 35 | C 1000.0 5000.0 0.59447897E 00-0.25405493E 03 0.15214514E 05 0.23022470E 01 36 | CCL2F2 V2C2 SVEHLA (1994) 37 | V 300.0 1000.0 0.55188576E 00-0.18084616E 03 0.74399094E 04 0.22089157E 01 38 | V 1000.0 5000.0 0.63820813E 00-0.16395245E 02-0.31624406E 05 0.14872353E 01 39 | C 300.0 1000.0 0.37505967E 00-0.45975338E 03 0.13246268E 05 0.38355232E 01 40 | C 1000.0 5000.0 0.59226968E 00-0.25988712E 03 0.21916978E 05 0.21265525E 01 41 | CCL3F V2C2 SVEHLA (1994) 42 | V 300.0 1000.0 0.52599241E 00-0.27466441E 03 0.18699061E 05 0.23965367E 01 43 | V 1000.0 5000.0 0.62963969E 00-0.58775545E 02-0.37421689E 05 0.15207986E 01 44 | C 300.0 1000.0 0.25082525E 00-0.69236016E 03 0.58465610E 05 0.46480202E 01 45 | C 1000.0 5000.0 0.58847038E 00-0.29613903E 03 0.29176214E 05 0.19487185E 01 46 | CCL4 V2C2 SVEHLA (1994) 47 | V 300.0 1000.0 0.52914726E 00-0.26173707E 03 0.16983586E 05 0.22508228E 01 48 | V 1000.0 5000.0 0.63117223E 00-0.50873987E 02-0.37435436E 05 0.13896152E 01 49 | C 300.0 1000.0 0.39796301E 00-0.45970713E 03 0.25887539E 05 0.32182809E 01 50 | C 1000.0 5000.0 0.60345477E 00-0.22665258E 03 0.12105253E 05 0.15795218E 01 51 | CF4 V2C2 BOUSHEHRI ET AL (1987) SVEHLA (1994) 52 | V 300.0 1000.0 0.62364242E 00-0.15734540E 02-0.11268526E 05 0.17826560E 01 53 | V 1000.0 5000.0 0.52895824E 00-0.34441290E 03 0.10572786E 06 0.26483931E 01 54 | C 300.0 1000.0 0.29102001E 00-0.62544847E 03 0.40137545E 05 0.50559989E 01 55 | C 1000.0 5000.0 0.46958735E 00-0.71864138E 03 0.17601542E 06 0.37798145E 01 56 | CHCLF2 V2C2 SVEHLA (1994) 57 | V 300.0 1000.0 0.55518512E 00-0.19151112E 03 0.92302454E 04 0.22465942E 01 58 | V 1000.0 5000.0 0.63832814E 00-0.18642363E 02-0.35632589E 05 0.15442566E 01 59 | C 300.0 1000.0 0.57111784E 00-0.40344356E 03 0.76841854E 04 0.26855196E 01 60 | C 1000.0 5000.0 0.57237181E 00-0.42144805E 03 0.17313314E 05 0.26852328E 01 61 | CHCL2F V2C2 SVEHLA (1994) 62 | V 300.0 1000.0 0.54261029E 00-0.23693132E 03 0.14722387E 05 0.22950603E 01 63 | V 1000.0 5000.0 0.63322050E 00-0.43091499E 02-0.36892355E 05 0.15269221E 01 64 | C 300.0 1000.0 0.64554399E 00-0.29614334E 03-0.34305973E 04 0.18524599E 01 65 | C 1000.0 5000.0 0.58133799E 00-0.38461009E 03 0.86999769E 04 0.23723154E 01 66 | CHCL3 V2C2 SVEHLA (1962,1994) 67 | V 300.0 1000.0 0.52563815E 00-0.28025371E 03 0.19479241E 05 0.23475804E 01 68 | V 1000.0 5000.0 0.62913497E 00-0.61794789E 02-0.38001753E 05 0.14716717E 01 69 | C 300.0 1000.0 0.43704658E 00-0.53648192E 03 0.29187663E 05 0.32672103E 01 70 | C 1000.0 5000.0 0.55383193E 00-0.51059645E 03 0.74636570E 05 0.23891512E 01 71 | CHF3 V2C2 SVEHLA (1994) 72 | V 300.0 1000.0 0.58092199E 00-0.11862927E 03 0.25039931E 04 0.20948315E 01 73 | V 1000.0 5000.0 0.64363521E 00-0.70920001E 00-0.25099472E 05 0.15713073E 01 74 | C 300.0 1000.0 0.73882642E 00-0.17058713E 03-0.32698111E 05 0.16126977E 01 75 | C 1000.0 5000.0 0.58787951E 00-0.35203256E 03-0.17448254E 05 0.28215977E 01 76 | CH2CL2 V2C2 SVEHLA (1994) 77 | V 300.0 1000.0 0.57185884E 00-0.34599168E 03 0.32975791E 05 0.21786059E 01 78 | V 1000.0 5000.0 0.60922943E 00-0.18784625E 03-0.27411214E 05 0.18227006E 01 79 | C 300.0 1000.0 0.25979341E 00-0.10510041E 04 0.11078850E 06 0.51956543E 01 80 | C 1000.0 5000.0 0.48080771E 00-0.95120530E 03 0.17139452E 06 0.35085367E 01 81 | CH3CL V2C2 MONCHICK & MASON (1961) SVEHLA (1994) 82 | V 300.0 1000.0 0.58181268E 00-0.30714376E 03 0.27516618E 05 0.20941516E 01 83 | V 1000.0 5000.0 0.61479454E 00-0.16327574E 03-0.27926072E 05 0.17778956E 01 84 | C 300.0 1000.0 0.43048390E 00-0.96586387E 03 0.91616260E 05 0.44424192E 01 85 | C 1000.0 5000.0 0.44418462E 00-0.11573896E 04 0.19422838E 06 0.44366915E 01 86 | CH4 V2C2 BOUSHEHRI ET AL (1987) SVEHLA (1994) 87 | V 200.0 1000.0 0.57643622E 00-0.93704079E 02 0.86992395E 03 0.17333347E 01 88 | V 1000.0 5000.0 0.66400044E 00 0.10860843E 02-0.76307841E 04 0.10323984E 01 89 | C 200.0 1000.0 0.10238177E 01-0.31092375E 03 0.32944309E 05 0.67787437E 00 90 | C 1000.0 5000.0 0.77485028E 00-0.40089627E 03-0.46551082E 05 0.25671481E 01 91 | CH4 O2 V2C0 SVEHLA (1994) 92 | V 300.0 1000.0 0.68971658E 00-0.82884483E 00-0.47557575E 04 0.11497470E 01 93 | V 1000.0 5000.0 0.69426262E 00-0.17685146E 02 0.59452784E 04 0.11244994E 01 94 | CH3OH V2C2 MONCHICK & MASON (1961) SVEHLA (1994) 95 | V 300.0 1000.0 0.58408390E 00-0.30677174E 03 0.27569892E 05 0.19794348E 01 96 | V 1000.0 5000.0 0.61454903E 00-0.16540203E 03-0.27881995E 05 0.16830713E 01 97 | C 300.0 1000.0 0.33374512E 00-0.11617154E 04 0.10894211E 06 0.57684124E 01 98 | C 1000.0 5000.0 0.42733576E 00-0.12682528E 04 0.20900463E 06 0.51283860E 01 99 | CO V3C3 SVEHLA (1994) 100 | V 200.0 1000.0 0.62526577E 00-0.31779652E 02-0.16407983E 04 0.17454992E 01 101 | V 1000.0 5000.0 0.87395209E 00 0.56152222E 03-0.17394809E 06-0.39335958E 00 102 | V 5000.0 15000.0 0.88503551E+00 0.90902171E+03-0.73129061E+06-0.53503838E+00 103 | C 200.0 1000.0 0.85439436E+00 0.10573224E+03-0.12347848E+05 0.47793128E+00 104 | C 1000.0 5000.0 0.88407146E+00 0.13357293E+03-0.11429640E+05 0.24417019E+00 105 | C 5000.0 15000.0 0.24175411E+01 0.80462671E+04 0.31090740E+07-0.14516932E+02 106 | CO CO2 V3C0 SVEHLA (1995) 107 | V 300.0 1000.0 0.68926185E 00-0.13796096E 01-0.46847568E 04 0.13060681E 01 108 | V 1000.0 5000.0 0.69417954E 00-0.18021840E 02 0.60950694E 04 0.12779603E 01 109 | V 5000.0 10000.0 0.61979004E+00-0.79830067E+03 0.11130858E+07 0.20233248E+01 110 | CO N2 V3C0 SVEHLA (1994) 111 | V 200.0 1000.0 0.62526577E 00-0.31779652E 02-0.16407983E 04 0.17454992E 01 112 | V 1000.0 5000.0 0.87395209E 00 0.56152222E 03-0.17394809E 06-0.39335958E 00 113 | V 5000.0 15000.0 0.88503551E+00 0.90902171E+03-0.73129061E+06-0.53503838E+00 114 | CO O2 V3C0 SVEHLA (1994) 115 | V 300.0 1000.0 0.70122551E 00 0.51717887E 01-0.14240838E 04 0.12895991E 01 116 | V 1000.0 5000.0 0.66744478E 00-0.86348036E 02 0.27445341E 05 0.15855986E 01 117 | V 5000.0 15000.0 0.21151565E+00-0.91881544E+04 0.18253525E+08 0.65600002E+01 118 | COS V2C2 SVEHLA (1962) 119 | V 300.0 1000.0 0.52573161E 00-0.27668290E 03 0.18982511E 05 0.25359860E 01 120 | V 1000.0 5000.0 0.62947137E 00-0.59744762E 02-0.37616630E 05 0.16590382E 01 121 | C 300.0 1000.0 0.56172985E 00-0.42167958E 03 0.28198920E 05 0.26921796E 01 122 | C 1000.0 5000.0 0.65503267E 00-0.17103349E 03-0.50472397E 05 0.18756918E 01 123 | CO2 V3C3 BOUSHEHRI ET AL (1987) SVEHLA (1994) 124 | V 200.0 1000.0 0.51137258E 00-0.22951321E 03 0.13710678E 05 0.27075538E 01 125 | V 1000.0 5000.0 0.63978285E 00-0.42637076E 02-0.15522605E 05 0.16628843E 01 126 | V 5000.0 10000.0 0.72150912E+00 0.75012895E+03-0.11825507E+07 0.85493645E+00 127 | C 200.0 1000.0 0.48056568E+00-0.50786720E+03 0.35088811E+05 0.36747794E+01 128 | C 1000.0 5000.0 0.69857277E+00-0.11830477E+03-0.50688859E+05 0.18650551E+01 129 | C 5000.0 10000.0 0.10518358E+01-0.42555944E+04 0.14288688E+08-0.88950473E+00 130 | CO2 H2 V3C0 SVEHLA (1994) 131 | V 300.0 1000.0 0.66101867E 00-0.40651732E 02-0.42877325E 04 0.74444661E 00 132 | V 1000.0 5000.0 0.70351908E 00 0.19946369E 02-0.13336698E 05 0.39931502E 00 133 | V 5000.0 10000.0 0.66401272E+00-0.33671205E+03 0.41670634E+06 0.78993145E+00 134 | CO2 H2O V3C0 SVEHLA (1994) 135 | V 300.0 1000.0 0.56499100E 00-0.32219550E 03 0.26301733E 05 0.26351165E 01 136 | V 1000.0 5000.0 0.68455483E 00-0.33114757E 02-0.58456473E 05 0.16048763E 01 137 | V 5000.0 10000.0 0.70748069E+00 0.11586070E+03-0.22772841E+06 0.13865863E+01 138 | CO2 N2 V3C0 SVEHLA (1994) 139 | V 300.0 1000.0 0.68926185E 00-0.13796096E 01-0.46847568E 04 0.13060681E 01 140 | V 1000.0 5000.0 0.69417954E 00-0.18021840E 02 0.60950694E 04 0.12779603E 01 141 | V 5000.0 10000.0 0.61979004E+00-0.79830067E+03 0.11130858E+07 0.20233248E+01 142 | CO2 O2 V3C0 SVEHLA (1994) 143 | V 300.0 1000.0 0.55753165E 00-0.17140020E 03 0.72594450E 04 0.24603725E 01 144 | V 1000.0 5000.0 0.66011947E 00 0.25362441E 02-0.39828007E 05 0.16020458E 01 145 | V 5000.0 10000.0 0.66564107E+00 0.13062608E+03-0.27519463E+06 0.15433736E+01 146 | CS2 V2C2 SVEHLA (1962) 147 | V 300.0 1000.0 0.54573740E 00-0.36042852E 03 0.33177885E 05 0.23235206E 01 148 | V 1000.0 5000.0 0.61427787E 00-0.15337427E 03-0.36078656E 05 0.17122621E 01 149 | C 300.0 1000.0 0.52603181E 00-0.50780062E 03 0.41502601E 05 0.26684257E 01 150 | C 1000.0 5000.0 0.66331137E 00-0.15058989E 03-0.68462565E 05 0.14728865E 01 151 | C2H2,acetylene V2C2 SVEHLA (1962,1994) 152 | V 300.0 1000.0 0.56299896E 00-0.15304865E 03 0.46019734E 04 0.18854528E 01 153 | V 1000.0 5000.0 0.64038318E 00-0.72360229E 01-0.29612277E 05 0.12393032E 01 154 | C 300.0 1000.0 0.84030505E 00-0.10051610E 03-0.26171483E 05 0.11926036E 01 155 | C 1000.0 5000.0 0.62672572E 00-0.58147342E 03 0.10751724E 06 0.30152260E 01 156 | C2H4 V2C2 BOUSHEHRI ET AL (1987) SVEHLA (1994) 157 | V 200.0 1000.0 0.59136053E 00-0.14088938E 03 0.30012800E 04 0.17018932E 01 158 | V 1000.0 5000.0 0.66000894E 00 0.39114999E 02-0.52676489E 05 0.11033601E 01 159 | C 200.0 1000.0 0.24736650E 00-0.10589987E 04 0.89911568E 05 0.64456092E 01 160 | C 1000.0 5000.0 0.51616035E 00-0.92486351E 03 0.15723887E 06 0.43873845E 01 161 | C2H6 V2C2 BOUSHEHRI ET AL (1987) SVEHLA (1994) 162 | V 200.0 1000.0 0.59089348E 00-0.13994405E 03 0.29868374E 04 0.15988866E 01 163 | V 1000.0 5000.0 0.66061323E 00 0.41062220E 02-0.52656212E 05 0.99191640E 00 164 | C 200.0 1000.0 0.70867490E 00-0.63016563E 03 0.50951026E 05 0.29508724E 01 165 | C 1000.0 5000.0 0.57947247E 00-0.64990228E 03-0.37806714E 04 0.39178395E 01 166 | C2H5OH V2C2 SVEHLA (1994) 167 | V 300.0 1000.0 0.54586031E 00-0.31382676E 03 0.26089200E 05 0.21078504E 01 168 | V 1000.0 5000.0 0.61957901E 00-0.11935847E 03-0.34285357E 05 0.14645259E 01 169 | C 300.0 1000.0 0.22185435E 00-0.12251941E 04 0.11716632E 06 0.65571580E 01 170 | C 1000.0 5000.0 0.42915840E 00-0.12128199E 04 0.21462928E 06 0.50153152E 01 171 | C2N2 V2C2 SVEHLA (1962) 172 | V 300.0 1000.0 0.52471007E 00-0.28839713E 03 0.20625913E 05 0.23625791E 01 173 | V 1000.0 5000.0 0.62832879E 00-0.66440897E 02-0.38542772E 05 0.14840188E 01 174 | C 300.0 1000.0 0.76361743E 00-0.24078764E 03 0.11152243E 05 0.13726624E 01 175 | C 1000.0 5000.0 0.66495585E 00-0.19733792E 03-0.59902201E 05 0.20817971E 01 176 | CL2 V2C2 SVEHLA (1994) 177 | V 300.0 1000.0 0.53516134E 00-0.23624735E 03 0.13738454E 05 0.24970463E 01 178 | V 1000.0 5000.0 0.63348430E 00-0.38786240E 02-0.35830615E 05 0.16699633E 01 179 | C 300.0 1000.0 0.34156262E 00-0.46059166E 03 0.34712872E 05 0.37412367E 01 180 | C 1000.0 5000.0 0.87392526E 00 0.19876120E 03-0.28784264E 05-0.53204988E 00 181 | D2 V2C2 SVEHLA (1994) 182 | V 200.0 1000.0 0.74566381E 00 0.43611949E 02-0.32396252E 04 0.48064872E 00 183 | V 1000.0 5000.0 0.96835229E 00 0.68241861E 03-0.21129775E 06-0.14883773E 01 184 | C 200.0 1000.0 0.11180891E 01 0.29771761E 03-0.23323095E 05 0.94208300E-01 185 | C 1000.0 5000.0 0.10670411E 01 0.49811245E 03-0.14904299E 06 0.37216028E 00 186 | D2O V2C2 MATSUNAGA & NAGASHIMA(1983) SVEHLA(1994) 187 | V 300.0 1000.0 0.51773336E 00-0.66413680E 03 0.82973607E 05 0.29575078E 01 188 | V 1000.0 5000.0 0.58703537E 00-0.55101540E 03 0.61063786E 05 0.23875750E 01 189 | C 300.0 1000.0 0.74656939E 00-0.10592831E 04 0.17838377E 06 0.26602773E 01 190 | C 1000.0 5000.0 0.50642285E 00-0.16925317E 04 0.37493403E 06 0.47558493E 01 191 | e- V1C1 MASON ET AL (1967) 192 | V 2000.0 5000.0 0.59319174E 01 0.56594215E 04-0.22576125E 07-0.53458874E 02 193 | C 2000.0 5000.0 0.59320964E 01 0.56601476E 04-0.22577332E 07-0.42512600E 02 194 | e- H V2C0 CAPITELLI ET AL (1976) 195 | V 2000.0 8000.0 0.12996657E+01 0.29049200E+04-0.19315880E+07-0.96081497E+01 196 | V 8000.0 15000.0 0.13439163E+01 0.62981265E+04-0.14088393E+08-0.10240040E+02 197 | e- H2 V2C0 CAPITELLI ET AL (1976) 198 | V 1000.0 8000.0 0.13682927E+01 0.70665102E+04-0.56748561E+07-0.10480386E+02 199 | V 8000.0 15000.0 0.20875514E+01 0.27345700E+05-0.63775336E+08-0.18571585E+02 200 | e- N V2C0 CAPITELLI & DEVOTO (1973) 201 | V 5000.0 10000.0 0.14373966E+01 0.18230345E+05-0.27492090E+08-0.96279246E+01 202 | V10000.0 15000.0 0.22566004E+01 0.48916050E+05-0.13996043E+09-0.19116958E+02 203 | e- NO V2C0 GUPTA ET AL (1990) 204 | V 2000.0 6000.0 0.61252493E+00 0.46768585E+04-0.30292080E+07-0.30467956E+01 205 | V 6000.0 15000.0 -0.31058569E+01-0.69841116E+05 0.15359384E+09 0.37370344E+02 206 | e- N2 V2C0 CAPITELLI & DEVOTO (1973) 207 | V 5000.0 10000.0 0.22167522E+01 0.22078280E+05-0.26142843E+08-0.18975334E+02 208 | V10000.0 15000.0 0.14276153E+01 0.81306835E+04 0.41382925E+07-0.10615166E+02 209 | e- O V2C0 GUPTA ET AL (1990) 210 | V 2000.0 6000.0 -0.36876460E+00-0.19261587E+04 0.72235159E+06 0.82699294E+01 211 | V 6000.0 15000.0 0.12858415E+00 0.88173340E+04-0.22555849E+08 0.27992711E+01 212 | e- O2 V2C0 GUPTA ET AL (1990) 213 | V 2000.0 6000.0 -0.12686144E+01-0.64961158E+04 0.37615998E+07 0.15676996E+02 214 | V 6000.0 15000.0 0.44642126E+01 0.65553833E+05-0.10919736E+09-0.43066392E+02 215 | F2 V2C2 SVEHLA (1962,1994) 216 | V 200.0 1000.0 0.61198519E 00-0.39647960E 02-0.17294474E 04 0.21237710E 01 217 | V 1000.0 5000.0 0.64406091E 00-0.58273377E 00-0.52243255E 04 0.18666294E 01 218 | C 200.0 1000.0 0.46767823E 00-0.26624115E 03 0.18169657E 05 0.36165585E 01 219 | C 1000.0 5000.0 -0.19981248E 00-0.25129092E 04 0.80775379E 06 0.96845049E 01 220 | H V2C2 VANDERSLICE ET AL (1962) 221 | V 1000.0 5000.0 0.74226149E+00-0.40132865E+03 0.18554165E+06 0.46741844E-01 222 | V 5000.0 15000.0 0.87486623E+00-0.25022902E+04 0.70955048E+07-0.93888455E+00 223 | C 1000.0 5000.0 0.74166119E+00-0.40487203E+03 0.18775642E+06 0.34843121E+01 224 | C 5000.0 15000.0 0.87447639E+00-0.25089452E+04 0.71081294E+07 0.24970991E+01 225 | H H+ V2C0 CAPITELLI ET AL (1976) 226 | V 2000.0 8000.0 0.65497943E+00 0.43620326E+03-0.20032290E+06-0.15933989E+01 227 | V 8000.0 15000.0 0.35775595E+00-0.56298406E+04 0.14552701E+08 0.16055465E+01 228 | H H2 V2C0 TANG & WEI (1974) SVEHLA (1994) 229 | V 1000.0 5000.0 0.91735768E+00 0.22052887E+03-0.57464994E+05-0.93741490E+00 230 | V 5000.0 15000.0 0.94056210E+00-0.17266834E+02 0.82707957E+06-0.11228741E+01 231 | H Li V2C0 KRUPENIE ET AL (1963) 232 | V 1000.0 5000.0 0.88870800E+00 0.25460216E+03-0.71635951E+05-0.24355021E+01 233 | V 5000.0 10000.0 0.96451195E+00 0.78151762E+03-0.44137515E+06-0.31717326E+01 234 | H N V2C0 STALLCOP ET AL (1992b) 235 | V 1000.0 6000.0 0.75455738E+00-0.15697085E+03 0.97258456E+05-0.48331565E-01 236 | V 6000.0 16000.0 0.15653364E+01 0.87404680E+04-0.12001036E+08-0.82485581E+01 237 | H N2 V2C0 STALLCOP ET AL (1992a) 238 | V 600.0 3000.0 0.10228384E+01 0.53349114E+03-0.11365313E+06-0.23880331E+01 239 | V 3000.0 10000.0 0.13275932E+01 0.14701554E+04-0.14725296E+06-0.51365002E+01 240 | H O V2C0 KRUPENIE ET AL (1963) 241 | V 1000.0 5000.0 0.85479480E+00 0.18680077E+03-0.46790687E+05-0.11272657E+01 242 | V 5000.0 10000.0 0.88515794E+00 0.64127280E+02 0.63943230E+06-0.13887887E+01 243 | HBr V2C2 ZELEZNIK & SVEHLA (1970) SVEHLA (1994) 244 | V 300.0 1000.0 0.54286515E 00-0.32909036E 03 0.28143861E 05 0.29266732E 01 245 | V 1000.0 5000.0 0.61904039E 00-0.12370443E 03-0.36461217E 05 0.22596924E 01 246 | C 300.0 1000.0 0.91269760E 00-0.15456150E 03 0.21177636E 05-0.43914664E 00 247 | C 1000.0 5000.0 0.63722827E 00-0.35434488E 03-0.16663585E 05 0.17013527E 01 248 | HCN V2C2 ZELEZNIK & SVEHLA (1970) SVEHLA (1994) 249 | V 300.0 1000.0 0.94863717E 00-0.14891490E 03 0.15258721E 05-0.72592817E 00 250 | V 1000.0 5000.0 0.57370725E 00-0.85239973E 03 0.17953641E 06 0.24032031E 01 251 | C 300.0 1000.0 0.11749061E 01-0.19100307E 03 0.15714065E 05-0.13488014E 01 252 | C 1000.0 5000.0 0.50543688E 00-0.13891056E 04 0.28003144E 06 0.42095130E 01 253 | HCL V2C2 SVEHLA (1994) 254 | V 300.0 1000.0 0.54302009E 00-0.27882979E 03 0.20927618E 05 0.25895500E 01 255 | V 1000.0 5000.0 0.62673906E 00-0.81516979E 02-0.35869154E 05 0.18707238E 01 256 | C 300.0 1000.0 0.90670645E 00-0.13561693E 03 0.18563886E 05 0.60312859E-01 257 | C 1000.0 5000.0 0.62521138E 00-0.43742347E 03 0.28720932E 05 0.22964614E 01 258 | HF V2C2 SVEHLA (1994) 259 | V 300.0 1000.0 0.81674828E 00-0.23635428E 03 0.22759084E 05 0.70625888E 00 260 | V 1000.0 5000.0 0.58742532E 00-0.55543347E 03 0.67637899E 05 0.25645661E 01 261 | C 300.0 1000.0 0.12590294E 01 0.11896441E 01-0.47558763E 03-0.19367617E 01 262 | C 1000.0 5000.0 0.51518587E 00-0.14932469E 04 0.37482086E 06 0.43206676E 01 263 | HF H6F6 V2C0 SVEHLA (1994) 264 | V 300.0 1000.0 0.52633473E 00-0.32896634E 03 0.26842682E 05 0.22132195E 01 265 | V 1000.0 5000.0 0.62213454E 00-0.10239431E 03-0.38543254E 05 0.13902717E 01 266 | HI V2C2 SVEHLA (1962) 267 | V 300.0 1000.0 0.53718504E 00-0.22504609E 03 0.12416876E 05 0.27888146E 01 268 | V 1000.0 5000.0 0.63448421E 00-0.33714923E 02-0.34599137E 05 0.19723806E 01 269 | C 300.0 1000.0 0.83653272E 00-0.10434645E 03 0.90075923E 04-0.38982280E 00 270 | C 1000.0 5000.0 0.65866010E 00-0.18846822E 03-0.37866478E 05 0.96987360E 00 271 | H2 V3C3 ASSAEL ET AL (1986) SVEHLA (1994) 272 | V 200.0 1000.0 0.74553182E 00 0.43555109E 02-0.32579340E 04 0.13556243E 00 273 | V 1000.0 5000.0 0.96730605E 00 0.67931897E 03-0.21025179E 06-0.18251697E 01 274 | V 5000.0 15000.0 0.10126129E+01 0.14973739E+04-0.14428484E+07-0.23254928E+01 275 | C 200.0 1000.0 0.10059461E+01 0.27951262E+03-0.29792018E+05 0.11996252E+01 276 | C 1000.0 5000.0 0.10582450E+01 0.24875372E+03 0.11736907E+05 0.82758695E+00 277 | C 5000.0 15000.0 -0.22364420E+00-0.69650442E+04-0.77771313E+05 0.13189369E+02 278 | H2 H2O V3C0 SVEHLA (1964) 279 | V 300.0 1000.0 0.60085490E 00-0.67691161E 02-0.21319326E 04 0.14199776E 01 280 | V 1000.0 5000.0 0.64550551E 00 0.10165601E 02-0.18735061E 05 0.10502885E 01 281 | V 5000.0 10000.0 0.66153255E+00 0.22389456E+03-0.37073622E+06 0.88511419E+00 282 | H2 N2 V3C0 SVEHLA (1994) 283 | V 300.0 1000.0 0.66038264E 00 0.35574798E 01-0.95778014E 03 0.70536614E 00 284 | V 1000.0 5000.0 0.62938039E 00-0.69072207E 02 0.19855881E 05 0.97133819E 00 285 | V 5000.0 8000.0 -0.77818660E-01-0.82764842E+04 0.11699769E+08 0.81689807E+01 286 | H2 O2 V3C0 SVEHLA (1994) 287 | V 300.0 1000.0 0.69018087E 00-0.23876092E 00-0.48432502E 04 0.66856355E 00 288 | V 1000.0 5000.0 0.69427291E 00-0.17583177E 02 0.58748504E 04 0.64692305E 00 289 | V 5000.0 10000.0 0.62089983E+00-0.78264233E+03 0.10864044E+07 0.13816401E+01 290 | H2O V3C3 SENGERS & WATSON (1986) SVEHLA (1994) 291 | V 373.2 1073.2 0.50019557E+00-0.69712796E+03 0.88163892E+05 0.30836508E+01 292 | V 1073.2 5000.0 0.58988538E+00-0.53769814E+03 0.54263513E+05 0.23386375E+01 293 | V 5000.0 15000.0 0.64330087E+00-0.95668913E+02-0.37742283E+06 0.18125190E+01 294 | C 373.2 1073.2 0.10966389E+01-0.55513429E+03 0.10623408E+06-0.24664550E+00 295 | C 1073.2 5000.0 0.39367933E+00-0.22524226E+04 0.61217458E+06 0.58011317E+01 296 | C 5000.0 15000.0 -0.41858737E+00-0.14096649E+05 0.19179190E+08 0.14345613E+02 297 | H2O N2 V3C0 SVEHLA (1994) 298 | V 300.0 1000.0 0.57304553E 00-0.14853813E 03 0.39029324E 04 0.23462780E 01 299 | V 1000.0 5000.0 0.64243064E 00 0.25018380E 01-0.36924430E 05 0.17567700E 01 300 | V 5000.0 10000.0 0.64420052E+00 0.10592615E+01-0.34300588E+05 0.17418827E+01 301 | H2O O2 V3C0 SVEHLA (1994) 302 | V 300.0 1000.0 0.64727375E 00-0.42110733E 01-0.45255490E 04 0.16510807E 01 303 | V 1000.0 5000.0 0.65299406E 00-0.17723412E 02 0.50906530E 04 0.16154623E 01 304 | V 5000.0 10000.0 0.60614671E+00-0.45218012E+03 0.56149352E+06 0.20791053E+01 305 | H2S V2C2 ZELEZNIK & SVEHLA (1970) SVEHLA (1994) 306 | V 300.0 1000.0 0.54078516E 00-0.30304377E 03 0.24073168E 05 0.24952022E 01 307 | V 1000.0 5000.0 0.62320319E 00-0.98355396E 02-0.37061803E 05 0.17823252E 01 308 | C 300.0 1000.0 0.99442135E 00-0.19849376E 03 0.18380943E 05-0.19947763E 00 309 | C 1000.0 5000.0 0.60597875E 00-0.56357581E 03 0.67027311E 04 0.28605490E 01 310 | H6F6 V2C2 SVEHLA (1994) 311 | V 300.0 1000.0 0.59712969E 00-0.36775006E 03 0.38256100E 05 0.15811495E 01 312 | V 1000.0 5000.0 0.60263706E 00-0.23619918E 03-0.24765049E 05 0.14745761E 01 313 | C 300.0 1000.0 0.82019209E 00-0.29783007E 03 0.17372752E 05 0.94706680E 00 314 | C 1000.0 5000.0 0.53249125E 00-0.75921725E 03 0.10421649E 06 0.33089772E 01 315 | He V3C3 BICH ET AL (1990) 316 | V 200.0 1000.0 0.75015944E 00 0.35763243E 02-0.22121291E 04 0.92126352E 00 317 | V 1000.0 5000.0 0.83394166E 00 0.22082656E 03-0.52852591E 05 0.20809361E 00 318 | V 5000.0 15000.0 0.86316349E+00 0.96205176E+03-0.12498705E+07-0.14115714E+00 319 | C 200.0 1000.0 0.75007833E 00 0.36577987E 02-0.23636600E 04 0.29766475E 01 320 | C 1000.0 5000.0 0.83319259E 00 0.22157417E 03-0.53304530E 05 0.22684592E 01 321 | C 5000.0 15000.0 0.85920953E+00 0.89873206E+03-0.11069262E+07 0.19535742E+01 322 | He N2 V3C0 SVEHLA (1994) 323 | V 300.0 1000.0 0.70332377E 00 0.77412205E 01-0.17715400E 04 0.11440787E 01 324 | V 1000.0 5000.0 0.66785742E 00-0.84659628E 02 0.26695708E 05 0.14530051E 01 325 | V 5000.0 15000.0 0.16804077E+01 0.15615203E+05-0.28112833E+08-0.91877596E+01 326 | I2 V2C2 SVEHLA (1962) 327 | V 300.0 1000.0 0.54929498E 00-0.36186119E 03 0.33655931E 05 0.26154108E 01 328 | V 1000.0 5000.0 0.61338027E 00-0.15938416E 03-0.35539572E 05 0.20394438E 01 329 | C 300.0 1000.0 0.29817264E 00-0.62470054E 03 0.63289228E 05 0.30234067E 01 330 | C 1000.0 5000.0 -0.15544742E 00-0.28843448E 04 0.96629457E 06 0.75135419E 01 331 | Kr V3C3 BICH ET AL (1990) 332 | V 200.0 1000.0 0.58597795E 00-0.12924832E 03 0.47495759E 04 0.25793650E 01 333 | V 1000.0 5000.0 0.68985845E 00 0.56296306E 02-0.36082600E 05 0.17170715E 01 334 | V 5000.0 15000.0 0.76582939E+00 0.68610377E+03-0.82537190E+06 0.97565128E+00 335 | C 200.0 1000.0 0.58008139E 00-0.13792556E 03 0.60771460E 04 0.16420039E 01 336 | C 1000.0 5000.0 0.68859431E 00 0.51765647E 02-0.34512131E 05 0.74332130E 00 337 | C 5000.0 15000.0 0.76365443E+00 0.65175847E+03-0.73589800E+06 0.12112126E-01 338 | Li V2C2 HOLLAND ET AL (1986) 339 | V 1000.0 3000.0 0.11808900E+01 0.10427008E+04-0.42642819E+06-0.40060038E+01 340 | V 3000.0 10000.0 0.13061758E+01 0.10446775E+04 0.13439272E+06-0.50720601E+01 341 | C 1000.0 3000.0 0.11802957E+01 0.10408710E+04-0.42655445E+06-0.24982084E+01 342 | C 3000.0 10000.0 0.13086032E+01 0.10695497E+04 0.10781083E+06-0.35944181E+01 343 | N V2C2 LEVIN ET AL (1990) 344 | V 1000.0 5000.0 0.83724737E+00 0.43997150E+03-0.17450753E+06 0.10365689E+00 345 | V 5000.0 15000.0 0.89986588E+00 0.14112801E+04-0.18200478E+07-0.55811716E+00 346 | C 1000.0 5000.0 0.83771661E+00 0.44243270E+03-0.17578446E+06 0.89942915E+00 347 | C 5000.0 15000.0 0.90001710E+00 0.14141175E+04-0.18262403E+07 0.24048513E+00 348 | N N+ V2C0 STALLCOP ET AL (1991) 349 | V 1000.0 5000.0 0.81904143E+00-0.59239089E+02 0.21722555E+05-0.14759287E+00 350 | V 5000.0 15000.0 0.14065434E+01 0.52447258E+04-0.58944155E+07-0.59756079E+01 351 | N NO V2C0 CUBLEY & MASON (1975) 352 | V 1000.0 5000.0 0.79891098E+00 0.16929386E+03-0.49068896E+05 0.47986716E+00 353 | V 5000.0 15000.0 0.85695322E+00 0.70223546E+03-0.65589491E+06-0.96805084E-01 354 | N N2 V2C0 CUBLEY & MASON (1975) 355 | V 1000.0 5000.0 0.84730498E+00 0.22158858E+03-0.65003723E+05 0.51991532E-01 356 | V 5000.0 15000.0 0.92821273E+00 0.97122155E+03-0.92773923E+06-0.75253261E+00 357 | N O V2C0 LEVIN ET AL (1990) 358 | V 1000.0 5000.0 0.70857405E+00-0.14025530E+03 0.76739975E+05 0.13001914E+01 359 | V 5000.0 15000.0 0.98622236E+00 0.23653200E+04-0.27165945E+07-0.14539746E+01 360 | N O+ V2C0 PARTRIDGE ET AL (1991) 361 | V 1000.0 5000.0 0.71806621E+00-0.22692123E+03 0.63051343E+03 0.88739853E+00 362 | V 5000.0 15000.0 0.12913413E+01 0.49522731E+04-0.57814165E+07-0.47998532E+01 363 | N O2 V2C0 CUBLEY & MASON (1975) 364 | V 1000.0 5000.0 0.76538325E+00 0.13624746E+03-0.39083438E+05 0.80110069E+00 365 | V 5000.0 15000.0 0.81011289E+00 0.54373468E+03-0.49868094E+06 0.35701613E+00 366 | N+ O V2C0 PARTRIDGE ET AL (1991) 367 | V 1000.0 5000.0 0.11462863E+01 0.12410378E+04-0.56794094E+06-0.29071183E+01 368 | V 5000.0 15000.0 0.10155522E+01-0.32731184E+03 0.17187573E+07-0.15714289E+01 369 | NH3 V2C2 ZELEZNIK & SVEHLA (1970) SVEHLA (1994) 370 | V 200.0 1000.0 0.56652403E 00-0.36718083E 03 0.31663844E 05 0.22647443E 01 371 | V 1000.0 5000.0 0.59761003E 00-0.28027339E 03 0.37532457E 04 0.19910129E 01 372 | C 200.0 1000.0 0.17498387E 01 0.29195254E 03-0.33033738E 05-0.50944985E 01 373 | C 1000.0 5000.0 0.64477673E 00-0.91294723E 03 0.16890182E 05 0.36939751E 01 374 | NO V3C3 BOUSHEHRI ET AL (1987) SVEHLA (1994) 375 | V 200.0 1000.0 0.60262029E 00-0.62017783E 02-0.13954524E 03 0.20268332E 01 376 | V 1000.0 5000.0 0.78009050E 00 0.30486891E 03-0.94847722E 05 0.52873381E 00 377 | V 5000.0 15000.0 0.80580582E+00 0.62427878E+03-0.57879210E+06 0.26516450E+00 378 | C 200.0 1000.0 0.95028758E+00 0.76667058E+02-0.99894764E+04-0.62776717E-02 379 | C 1000.0 5000.0 0.86215238E+00 0.44568223E+03-0.23856466E+06 0.46209876E+00 380 | C 5000.0 15000.0 -0.10377865E+01-0.34486864E+05 0.67451187E+08 0.20928749E+02 381 | NO O V2C0 CUBLEY & MASON (1975) 382 | V 1000.0 5000.0 0.75990752E+00 0.13133851E+03-0.37679635E+05 0.87807540E+00 383 | V 5000.0 15000.0 0.80259080E+00 0.51991196E+03-0.47557226E+06 0.45433467E+00 384 | NOCL V2C2 SVEHLA (1994) 385 | V 300.0 1000.0 0.60503640E 00-0.30599542E 03 0.28616290E 05 0.20637208E 01 386 | V 1000.0 5000.0 0.60958727E 00-0.19972327E 03-0.22243863E 05 0.19768724E 01 387 | C 300.0 1000.0 0.52036442E 00-0.53758642E 03 0.52600561E 05 0.29380096E 01 388 | C 1000.0 5000.0 0.92835992E 00 0.13511240E 03-0.79751817E 05-0.42066992E 00 389 | NO2 V2C2 SVEHLA (1966) 390 | V 300.0 1000.0 0.57379100E 00-0.12636034E 03 0.21566823E 04 0.22287492E 01 391 | V 1000.0 5000.0 0.64239645E 00 0.60012144E 00-0.27020876E 05 0.16570566E 01 392 | C 300.0 1000.0 0.48574998E 00-0.50702110E 03 0.46605820E 05 0.36444556E 01 393 | C 1000.0 5000.0 0.97660465E 00 0.72760751E 03-0.32527989E 06-0.60899123E 00 394 | N2 V3C3 BOUSHEHRI ET AL (1987) SVEHLA (1994) 395 | V 200.0 1000.0 0.62526577E 00-0.31779652E 02-0.16407983E 04 0.17454992E 01 396 | V 1000.0 5000.0 0.87395209E 00 0.56152222E 03-0.17394809E 06-0.39335958E 00 397 | V 5000.0 15000.0 0.88503551E+00 0.90902171E+03-0.73129061E+06-0.53503838E+00 398 | C 200.0 1000.0 0.85439436E+00 0.10573224E+03-0.12347848E+05 0.47793128E+00 399 | C 1000.0 5000.0 0.88407146E+00 0.13357293E+03-0.11429640E+05 0.24417019E+00 400 | C 5000.0 15000.0 0.24176185E+01 0.80477749E+04 0.31055802E+07-0.14517761E+02 401 | N2 O V2C0 CUBLEY & MASON (1975) 402 | V 1000.0 5000.0 0.79176378E+00 0.16226176E+03-0.47001647E+05 0.58989646E+00 403 | V 5000.0 15000.0 0.84676036E+00 0.66685159E+03-0.62101896E+06 0.43522696E-01 404 | N2 O2 V3C0 SVEHLA (1994) 405 | V 300.0 1000.0 0.70122551E 00 0.51717887E 01-0.14240838E 04 0.12895991E 01 406 | V 1000.0 5000.0 0.66744478E 00-0.86348036E 02 0.27445341E 05 0.15855986E 01 407 | V 5000.0 15000.0 0.21151565E+00-0.91881544E+04 0.18253525E+08 0.65600002E+01 408 | N2O V2C2 BOUSHEHRI ET AL(1987) URIBE ET AL(1990) 409 | V 200.0 1000.0 0.58959112E 00-0.15565178E 03 0.37630431E 04 0.21223853E 01 410 | V 1000.0 5000.0 0.64571469E 00-0.88806585E 01-0.41560559E 05 0.16332498E 01 411 | C 200.0 1000.0 0.65165376E 00-0.34373058E 03 0.15090399E 05 0.24242359E 01 412 | C 1000.0 5000.0 0.64720604E 00-0.78680195E 02-0.11965729E 06 0.23246569E 01 413 | N2O4 V2C2 SVEHLA (1966) 414 | V 300.0 1000.0 0.52508683E 00-0.28652689E 03 0.20354406E 05 0.25287873E 01 415 | V 1000.0 5000.0 0.62841605E 00-0.65798081E 02-0.38345315E 05 0.16529852E 01 416 | C 300.0 1000.0 0.33364942E 00-0.68702644E 03 0.52625318E 05 0.47685793E 01 417 | C 1000.0 5000.0 0.59441359E 00-0.26239268E 03-0.29309960E 05 0.26245858E 01 418 | Na V2C2 HOLLAND & BIOLSI (1987) 419 | V 500.0 2000.0 0.91803855E+00 0.22790517E+03-0.63721828E+05-0.12813410E+01 420 | V 2000.0 10000.0 0.11882599E+01 0.48628768E+03 0.21833835E+06-0.35349734E+01 421 | C 500.0 2000.0 0.91834808E+00 0.22837346E+03-0.63906051E+05-0.97901956E+00 422 | C 2000.0 10000.0 0.11900946E+01 0.49842922E+03 0.20953120E+06-0.32479254E+01 423 | Ne V3C3 BICH ET AL (1990) 424 | V 200.0 1000.0 0.68398511E 00 0.18732366E 02-0.23663189E 04 0.18284755E 01 425 | V 1000.0 5000.0 0.72333495E 00 0.10420872E 03-0.25429545E 05 0.14942434E 01 426 | V 5000.0 15000.0 0.77549350E+00 0.59414850E+03-0.69670786E+06 0.97885712E+00 427 | C 200.0 1000.0 0.68509965E 00 0.19794924E 02-0.24525539E 04 0.22586136E 01 428 | C 1000.0 5000.0 0.72278122E 00 0.10528290E 03-0.26355706E 05 0.19367337E 01 429 | C 5000.0 15000.0 0.77589413E+00 0.61283778E+03-0.74015705E+06 0.14114011E+01 430 | O V2C2 LEVIN ET AL (1990) 431 | V 1000.0 5000.0 0.77269241E+00 0.83842977E+02-0.58502098E+05 0.85100827E+00 432 | V 5000.0 15000.0 0.87669586E+00 0.10158420E+04-0.10884566E+07-0.18001077E+00 433 | C 1000.0 5000.0 0.77271664E+00 0.83989100E+02-0.58580966E+05 0.15179900E+01 434 | C 5000.0 15000.0 0.87676666E+00 0.10170744E+04-0.10906690E+07 0.48644232E+00 435 | O O+ V2C0 STALLCOP ET AL (1991) 436 | V 1000.0 5000.0 0.96270522E+00 0.57916036E+03-0.28549938E+06-0.12297154E+01 437 | V 5000.0 15000.0 0.99113919E+00-0.80815595E+02 0.17198651E+07-0.14201124E+01 438 | O O2 V2C0 CUBLEY & MASON (1975) 439 | V 1000.0 5000.0 0.73493993E+00 0.10911663E+03-0.31057767E+05 0.10998186E+01 440 | V 5000.0 15000.0 0.76924754E+00 0.42004937E+03-0.37954441E+06 0.75936688E+00 441 | OH V2C2 SVEHLA (1994) 442 | V 1000.0 5000.0 0.59711536E+00-0.46100678E+03 0.37606286E+05 0.24041761E+01 443 | V 5000.0 15000.0 0.64287721E+00-0.18173747E+03-0.88543767E+05 0.19636057E+01 444 | C 1000.0 5000.0 0.68627561E+00-0.74033274E+03 0.27559033E+05 0.28308741E+01 445 | C 5000.0 15000.0 -0.47918112E+00-0.93769908E+04 0.70509952E+07 0.14203688E+02 446 | O2 V3C3 BOUSHEHRI ET AL (1987) SVEHLA (1994) 447 | V 200.0 1000.0 0.60916180E 00-0.52244847E 02-0.59974009E 03 0.20410801E 01 448 | V 1000.0 5000.0 0.72216486E 00 0.17550839E 03-0.57974816E 05 0.10901044E 01 449 | V 5000.0 15000.0 0.73981127E+00 0.39194906E+03-0.37833168E+06 0.90931780E+00 450 | C 200.0 1000.0 0.77229167E+00 0.68463210E+01-0.58933377E+04 0.12210365E+01 451 | C 1000.0 5000.0 0.90917351E+00 0.29124182E+03-0.79650171E+05 0.64851631E-01 452 | C 5000.0 15000.0 -0.11218262E+01-0.19286378E+05 0.23295011E+08 0.20342043E+02 453 | SF6 V2C2 BOUSHEHRI ET AL (1987) SVEHLA (1994) 454 | V 300.0 1000.0 0.49748474E 00-0.21864084E 03 0.14509989E 05 0.27631958E 01 455 | V 1000.0 5000.0 0.60769589E 00-0.14230978E 03 0.31449312E 05 0.19086137E 01 456 | C 300.0 1000.0 0.41857258E 00-0.19733612E 03-0.25661949E 05 0.34555207E 01 457 | C 1000.0 5000.0 0.60633905E 00 0.44458129E 02-0.52676509E 05 0.19436963E 01 458 | SO2 V2C2 ZELEZNIK & SVEHLA (1970) SVEHLA (1994) 459 | V 300.0 1000.0 0.53157084E 00-0.29589873E 03 0.21224840E 05 0.25975549E 01 460 | V 1000.0 5000.0 0.60783098E 00-0.19283581E 03 0.78232002E 04 0.19811072E 01 461 | C 300.0 1000.0 0.61476551E 00-0.56409295E 03 0.49580787E 05 0.23940064E 01 462 | C 1000.0 5000.0 0.53617558E 00-0.69413085E 03 0.75304908E 05 0.30412002E 01 463 | SiCL4 V2C2 SVEHLA (1994) 464 | V 300.0 1000.0 0.52724861E 00-0.26992512E 03 0.18062726E 05 0.22413435E 01 465 | V 1000.0 5000.0 0.63025696E 00-0.55616232E 02-0.37587506E 05 0.13711284E 01 466 | C 300.0 1000.0 0.48928637E 00-0.34031669E 03 0.15336652E 05 0.23608171E 01 467 | C 1000.0 5000.0 0.62189282E 00-0.14644974E 03-0.15293955E 05 0.12815679E 01 468 | SiF4 V2C2 SVEHLA (1962,1994) 469 | V 300.0 1000.0 0.59609697E 00-0.79178529E 02-0.15915012E 04 0.19580540E 01 470 | V 1000.0 5000.0 0.64527457E 00 0.10348180E 02-0.21766101E 05 0.15489951E 01 471 | C 300.0 1000.0 0.44281914E 00-0.38082561E 03 0.16794039E 05 0.35456135E 01 472 | C 1000.0 5000.0 0.62544021E 00-0.11192686E 03-0.26345285E 05 0.20583524E 01 473 | SiH4 V2C2 SVEHLA (1962) 474 | V 300.0 1000.0 0.57519423E 00-0.12326162E 03 0.18824028E 04 0.18761319E 01 475 | V 1000.0 5000.0 0.64257687E 00 0.12846016E 01-0.26699436E 05 0.13147047E 01 476 | C 300.0 1000.0 0.55408670E 00-0.64339630E 03 0.55747611E 05 0.37641386E 01 477 | C 1000.0 5000.0 0.56234379E 00-0.44931035E 03-0.37165926E 05 0.36059282E 01 478 | UF6 V2C0 SVEHLA (1962) 479 | V 300.0 1000.0 0.56019928E 00-0.15978215E 03 0.52866529E 04 0.24249812E 01 480 | V 1000.0 5000.0 0.63981806E 00-0.95366264E 01-0.30026765E 05 0.17600620E 01 481 | Xe V3C3 BICH ET AL (1990) 482 | V 200.0 1000.0 0.57988418E 00-0.18806666E 03 0.10508723E 05 0.26502107E 01 483 | V 1000.0 5000.0 0.68506945E 00 0.47671749E 02-0.54767718E 05 0.17531546E 01 484 | V 5000.0 15000.0 0.75436414E+00 0.69100248E+03-0.75140593E+06 0.10621747E+01 485 | C 200.0 1000.0 0.57308328E 00-0.19991432E 03 0.12872027E 05 0.12718931E 01 486 | C 1000.0 5000.0 0.68319650E 00 0.40020092E 02-0.52038474E 05 0.33623407E 00 487 | C 5000.0 15000.0 0.75593640E+00 0.72923858E+03-0.82407834E+06-0.39025477E+00 488 | end 489 | -------------------------------------------------------------------------------- /+CEA/bin/trans.lib: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PurdueH2Lab/MatlabCEA/0dcd1ffb7ae30a8092a625b3395e1e32659d1cae/+CEA/bin/trans.lib -------------------------------------------------------------------------------- /+CEA/private/CheckRequiredInputs.m: -------------------------------------------------------------------------------- 1 | function CheckRequiredInputs(inpStruct, reqInps) 2 | % Check that all required inputs are present in input 3 | % structure, returning an error and list of requirements if any 4 | % are missing. 5 | for i = 1:length(reqInps) 6 | if ~isfield(inpStruct,lower(reqInps{i})) 7 | fprintf('Problems of type "%s" require the following inputs:\n',... 8 | inpStruct.problemtype); 9 | 10 | for j = 1:length(reqInps) 11 | fprintf(' %s',reqInps{j}); 12 | if i == j 13 | fprintf(' <-- Missing'); 14 | end 15 | fprintf('\n'); 16 | end 17 | 18 | error('CEA:CheckRequiredInputs',... 19 | 'Required input "%s" is missing',reqInps{i}); 20 | end 21 | end -------------------------------------------------------------------------------- /+CEA/private/Execute.m: -------------------------------------------------------------------------------- 1 | function Execute() 2 | % Run the CEA execuatble for each input file present 3 | 4 | % TODO: For parallel execution, the case builder can make N 5 | % input files ('Detn.inp.1', 'Detn.inp.2', etc). The run function 6 | % would then check for that, and create N subfolders in the 7 | % @CEA folder. In each subfolder, it would copy the CEA 8 | % executable and libraries, and the appropriate Detn input 9 | % file. Each folder could be started in parallel, then the 10 | % results from the Detn.out files condensed with a single 11 | % CEA.ReadResults function. 12 | % To start multiple, use system('start CEA600.exe') in windows. 13 | % Alternately, use java with 14 | % rt = java.lang.Runtime.getRuntime(); 15 | % p = rt.exec('CEA600.exe'); 16 | % p.waitFor(); 17 | % 18 | CEAPath = GetPath(); 19 | inpFiles = dir(fullfile(CEAPath,'Detn.inp*')); 20 | 21 | if length(inpFiles) == 1 22 | CEAPaths = {CEAPath}; 23 | else 24 | CEAPaths = cell(length(inpFiles),1); 25 | CEAFiles = {'CEA600.exe','thermo.lib','trans.lib'}; 26 | for i = 1:length(inpFiles) 27 | CEAPaths{i} = fullfile(CEAPath,sprintf('%02d',i)); 28 | mkdir(CEAPaths{i}); 29 | for f = 1:length(CEAFiles) 30 | copyfile(fullfile(CEAPath,CEAFiles{f}),... 31 | fullfile(CEAPaths{i},CEAFiles{f})); 32 | end 33 | copyfile(fullfile(CEAPath,inpFiles(i).name),... 34 | fullfile(CEAPaths{i},'Detn.inp')); 35 | end 36 | end 37 | 38 | % Parallel execution, start N instances of CEA, one per 39 | % condition, then wait for them all to complete. 40 | for p = 1:length(CEAPaths) 41 | currentPath = cd(CEAPaths{p}); 42 | if ispc 43 | system('start CEA600.exe'); 44 | elseif isunix 45 | error('CEA:Execute','UNIX not supported yet'); 46 | else 47 | error('CEA:Execute','Unrecognized system'); 48 | end 49 | cd(currentPath); 50 | end 51 | 52 | % Wait for all CEA runs to complete 53 | isComplete(size(CEAPaths)) = false; 54 | 55 | while ~all(isComplete) 56 | % TODO: If CEA crashes this will wait infinitely here. Fix. 57 | for p = 1:length(CEAPaths) 58 | isComplete(p) = ... 59 | exist(fullfile(CEAPaths{p},'Detn.out'),'file') & ... 60 | exist(fullfile(CEAPaths{p},'Detn.plt'),'file'); 61 | end 62 | pause(0.25); 63 | end -------------------------------------------------------------------------------- /+CEA/private/ExtractData.m: -------------------------------------------------------------------------------- 1 | function [name,data] = ExtractData(values, name) 2 | 3 | switch lower(name) 4 | case {'t','temperature','temp'} 5 | data = DimVar(values,'K'); 6 | name = 'Temperature'; 7 | 8 | case {'p','pressure','press','pres'} 9 | data = DimVar(values,'bar'); 10 | name = 'Pressure'; 11 | 12 | case {'rho','density','dens'} 13 | data = DimVar(values,'kg/m^3'); 14 | name = 'Density'; 15 | 16 | case {'h','enthalpy','enth','enthalp'} 17 | data= DimVar(values,'kJ/kg'); 18 | name = 'Enthalpy'; 19 | 20 | case {'g','gibbs','gibb','gibbs_energy','gibbs_free_energy'} 21 | data = DimVar(values,'kJ/kg'); 22 | name = 'Gibbs'; 23 | 24 | case {'s','entropy','entr'} 25 | data = DimVar(values,'kJ/kg'); 26 | name = 'Entropy'; 27 | 28 | case {'m','mw'} 29 | data = DimVar(values,'g/mol'); 30 | name = 'MolarMass'; 31 | 32 | case {'cp','specific_heat'} 33 | data = DimVar(values,'kJ/kg-K'); 34 | 35 | case {'son','sonic_velocity'} 36 | data = DimVar(values,'m/s'); 37 | 38 | case {'vis','visc','viscosity'} 39 | data = DimVar(values,'mP'); 40 | 41 | case {'cond','conductivity'} 42 | data = DimVar(values,'mW/cm-K'); 43 | 44 | case {'cond_fz','condfz','conductivity_frozen'} 45 | data = DimVar(values,'mW/cm-K'); 46 | 47 | case {'isp','specific_impulse'} 48 | data = DimVar(values./9.81,'s'); 49 | 50 | case 'son1' 51 | data = DimVar(values,'m/s'); 52 | 53 | case 'h1' 54 | data = DimVar(values,'kJ/kg'); 55 | 56 | case 't1' 57 | data = DimVar(values,'K'); 58 | 59 | case 'p1' 60 | data = DimVar(values,'bar'); 61 | 62 | case {'vel','detvel'} 63 | data = DimVar(values,'m/s'); 64 | 65 | otherwise % All dimensionless or unexpected outputs go here 66 | data = values; 67 | end 68 | -------------------------------------------------------------------------------- /+CEA/private/GetPath.m: -------------------------------------------------------------------------------- 1 | function CEAPath = GetPath() 2 | % Determine the path to the CEA package folder 3 | CEAPath = fullfile(fileparts(fileparts(which('CEA.Reactant'))),'bin'); -------------------------------------------------------------------------------- /+CEA/private/InitializeOptionalInputs.m: -------------------------------------------------------------------------------- 1 | function outputStruct = InitializeOptionalInputs(inpStruct, optInps) 2 | % Check if any optional arguments are missing from input 3 | % structure, and initialize them to an empty string if they 4 | % are not present 5 | outputStruct = inpStruct; 6 | for i = 1:length(optInps) 7 | if ~isfield(inpStruct,optInps{i}) 8 | outputStruct.(lower(optInps{i})) = ''; 9 | end 10 | end -------------------------------------------------------------------------------- /+CEA/private/ReadInputs.m: -------------------------------------------------------------------------------- 1 | function inputs = ReadInputs(args) 2 | 3 | 4 | % Load variable inputs to structure 5 | 6 | inputs = struct(); 7 | 8 | % Verify that there are an even number of args 9 | if mod(size(args,2),2) 10 | error('CEA:ReadInputs',... 11 | 'Inputs must be valid name-value pairs'); 12 | else 13 | nargs = size(args,2)/2; 14 | end 15 | 16 | % Put input arguments into structure 17 | % Note: force all strings to lower case to inputs are not case 18 | % sensitive 19 | for i = 1:nargs 20 | flag = lower(args{2*(i-1)+1}); 21 | flag(flag=='/') = ''; 22 | flag(flag==' ') = ' '; 23 | value = args{2*(i-1)+2}; 24 | inputs.(flag) = value; 25 | end -------------------------------------------------------------------------------- /+CEA/private/ReadOutputs.m: -------------------------------------------------------------------------------- 1 | function raw = ReadOutputs() 2 | % Read the output file(s), and condense multiple outputs or 3 | % single outputs to a consistent format 4 | CEAPath = GetPath(); 5 | inpFiles = dir(fullfile(CEAPath,'Detn.inp*')); 6 | 7 | if length(inpFiles) == 1 8 | CEAPaths = {CEAPath}; 9 | else 10 | CEAPaths = cell(length(inpFiles),1); 11 | for i = 1:length(inpFiles) 12 | CEAPaths{i} = fullfile(CEAPath,sprintf('%02d',i)); 13 | end 14 | end 15 | 16 | % Load the raw data from all the Detn.plt files 17 | % TODO: Also read results from Detn.out file (more results) 18 | raw = cell(size(CEAPaths)); 19 | for p = 1:length(CEAPaths) 20 | raw{p} = load(fullfile(CEAPaths{p},'Detn.plt')); 21 | end 22 | -------------------------------------------------------------------------------- /+CEA/private/ReadPossibleInputs.m: -------------------------------------------------------------------------------- 1 | function [value, key] = ReadPossibleInputs(inputs,options) 2 | 3 | matches = isfield(inputs,options); 4 | key = options{1}; 5 | value = NaN; 6 | 7 | if sum(matches) > 1 8 | disp(options) 9 | error('CEA:ReadPossibleInputs',... 10 | 'Too many inputs of the set above were provided'); 11 | end 12 | 13 | if any(matches) 14 | fldName = options(matches); 15 | value = inputs.(fldName{1}); 16 | end -------------------------------------------------------------------------------- /+CEA/private/ReadRocketOutput.m: -------------------------------------------------------------------------------- 1 | function data = ReadRocketOutput(inputs, raw) 2 | % Parses the output data from a rocket problem taken from the raw array 3 | % 4 | % This takes the raw array (for now from the plt file) and formats it 5 | % into a structure based on the requested outputs. 6 | 7 | data(size(inputs)) = struct(); 8 | 9 | for j = 1:length(inputs) 10 | for i = 1:length(inputs(j).outputs) 11 | outputName = inputs(j).outputs{i}; 12 | outputName(outputName=='/') = ''; 13 | outputName(outputName==' ') = '_'; 14 | 15 | [name,values] = ExtractData(raw{j}(:,i),outputName); 16 | data(j).(name) = values; 17 | 18 | end 19 | end -------------------------------------------------------------------------------- /+CEA/private/SplitInputs.m: -------------------------------------------------------------------------------- 1 | function inputs = SplitInputs(reactants, inputs, splitFlds) 2 | if ~all(strcmpi('na',{reactants.Type})) 3 | % Not all are 'name', require fuel and ox and ratio arg 4 | 5 | while true 6 | [value,key] = ReadPossibleInputs(inputs,{'o/f','of','of_ratio','ofratio'}); 7 | if ~isnan(value), break, end 8 | 9 | [value,key] = ReadPossibleInputs(inputs,{'f/o','fo','fa','fuelox','fuelair'}); 10 | if ~isnan(value), break, end 11 | 12 | [value,key] = ReadPossibleInputs(inputs,{'phi','eqratio','eq_ratio'}); 13 | if ~isnan(value), break, end 14 | 15 | [value,key] = ReadPossibleInputs(inputs,{'r'}); 16 | if ~isnan(value), break, end 17 | 18 | fprintf(['Mixture values must be specified if input reactants\n',... 19 | 'are set as fuels and oxidants. Valid entries are:\n']); 20 | 21 | fprintf(' %%f Percent fuel by weight\n'); 22 | fprintf(' F/O Fuel to oxidant weight ratio\n'); 23 | fprintf(' O/F Oxidant to fuel weight ratio\n'); 24 | fprintf(' phi Equivalence ratio (fuel-to-ox weight ratio)\n'); 25 | fprintf(' r Chemical equivalence ratios in terms of valences\n'); 26 | 27 | error('CEA:SplitInputs','Missing mixture values'); 28 | end 29 | 30 | inputs.mixtype = key; 31 | inputs.mixvalue = value; 32 | else 33 | inputs.mixtype = NaN; 34 | inputs.mixvalue = NaN; 35 | end 36 | 37 | % Set splitFlds to empty if not provided 38 | if ~exist('splitFlds','var') 39 | splitFlds = {}; 40 | end 41 | 42 | % Now split inputs structure based on the following splittable 43 | % fields (only 1 split permitted for now): 44 | % mixvalue (if provided) 45 | % splitFlds 46 | if ~isnan(inputs.mixvalue) 47 | splitFlds = ['mixvalue', lower(splitFlds)]; 48 | else 49 | splitFlds = lower(splitFlds); 50 | end 51 | 52 | if ~isempty(splitFlds) 53 | fldLengths = cellfun(@(x) length(inputs.(x)),splitFlds); 54 | splitIDs = fldLengths>1; 55 | nSplits = sum(splitIDs); 56 | 57 | if nSplits > 1 58 | error('CEA:SplitInputs',... 59 | 'You can only run one vector of inputs at a time'); 60 | elseif nSplits == 1 61 | splitFldName = splitFlds(splitIDs); 62 | inputs.splitfld = splitFldName{1}; 63 | LSplit = fldLengths(splitIDs); 64 | 65 | % TODO: Split into chunks of 8 or something greater than 1 66 | % condition per input structure 67 | splitArray = inputs.(inputs.splitfld); 68 | inputs(1:LSplit) = inputs; 69 | 70 | for i = 1:length(inputs) 71 | inputs(i).(inputs.splitfld) = splitArray(i); 72 | end 73 | end 74 | end 75 | 76 | 77 | 78 | 79 | 80 | 81 | 82 | -------------------------------------------------------------------------------- /+CEA/private/WriteRocketInput.m: -------------------------------------------------------------------------------- 1 | function str = WriteRocketInput(reactants, inputs) 2 | 3 | % Flow options: fac (default is iac), eq, fr or rz, nfr or nfz. 4 | % 5 | % fac assumes a finite area combusion chamber. If the area is not 6 | % given, the default is infinite area combusion assumption, iac. 7 | % 8 | % eq assumes equilibrium composition during expansion 9 | % 10 | % fr assumes frozen composition during expansion (not available with 11 | % fac option) 12 | % 13 | % nfr is followed by an integer which is the column number for freezing 14 | % composition. Default is 1 (the combustion point) 15 | 16 | switch lower(inputs.flow) 17 | case {'eq','equilibrium','equil'} 18 | inputs.flow = 'eq'; 19 | case {'fr','fz','frz','frozen'} 20 | inputs.flow = 'fr'; 21 | case {'nfr','nfz','not frozen'} 22 | inputs.flow = 'nfr'; 23 | otherwise 24 | error('CEA:WriteRocketInput',... 25 | 'Flow type "%s" is not valid.',... 26 | inputs.flow); 27 | end 28 | 29 | if ~isfield(inputs,'comblength') 30 | inputs.comblength = ''; 31 | else 32 | switch lower(inputs.comblength) 33 | case {'fac','finite area combustor'} 34 | inputs.comblength = 'fac'; 35 | 36 | case '' 37 | % Check: default is inf area combustor, this creates empty 38 | % string for inpgen. Nothing to do here. 39 | 40 | otherwise 41 | error('CEA:WriteRocketInput',... 42 | 'CombLength type "%s" is not valid.',... 43 | inputs.comblength); 44 | end 45 | end 46 | 47 | if strcmp(inputs.comblength,'fac') && strcmp(inputs.flow,'fr') 48 | error('CEA:WriteRocketInput',... 49 | ['Combustion length "fac" may not be used with the ',... 50 | 'frozen flow assumption']) 51 | end 52 | 53 | % TODO: Include options have ionized species 54 | % TODO: Have the nfr allow the integer input (currently uses default of 55 | % 1) 56 | 57 | 58 | str = sprintf('problem %s %s %s',... 59 | inputs.problemtype,inputs.flow,inputs.comblength); 60 | 61 | % TODO: Include optional combustion temperature for rocket problem 62 | 63 | % TODO: Consider making total enthalpy of reactant mixture an input for 64 | % rocket problem type 65 | 66 | 67 | if ~isnan(inputs.mixvalue) 68 | str = strcat(str,sprintf(' %s=%9.4f \n', ... 69 | inputs.mixtype,inputs.mixvalue)); 70 | end 71 | 72 | if strcmp(inputs.comblength,'fac') 73 | if ~isfield(inputs,'cr') 74 | % TODO: per RP-1311-P2 Section 2.4.15, mdot is also allowed 75 | error('CEA:WriteRocketInput',... 76 | 'CR is required for problems with CombLength of "fac"'); 77 | end 78 | 79 | str = strcat(str,sprintf(' ac/at=%9.4f ',inputs.cr)); 80 | end 81 | 82 | % Write Pc values to input file 83 | str = strcat(str,sprintf(' p,bar=%9.2f \n',inputs.pc.Convert('bar'))); 84 | 85 | % Check for various optional inputs: 86 | 87 | % Pressure ratio, p_inj/p_exit 88 | if isfield(inputs,'pr') 89 | str = strcat(str,sprintf(' pi/p=%9.4f \n',inputs.PR)); 90 | end 91 | 92 | % Ae/At (subsonic area ratios) 93 | if isfield(inputs,'subar') 94 | str = strcat(str,sprintf(' subar=%9.4f \n',inputs.subar)); 95 | end 96 | 97 | % Ae/At (supersonic area ratios) 98 | if isfield(inputs,'supar') 99 | str = strcat(str,sprintf(' supar=%9.4f \n',inputs.supar)); 100 | end 101 | 102 | str = strcat(str,sprintf(' \n reactants \n reac ')); 103 | 104 | totalMassKg = 0; 105 | for i=1:length(reactants) 106 | totalMassKg = totalMassKg + reactants(i).Quantity.Convert('kg'); 107 | end 108 | 109 | for i=1:length(reactants) 110 | str = strcat(str,sprintf('%s \n', ... 111 | reactants(i).writeString(totalMassKg))); 112 | end 113 | 114 | % Include other options e.g. incl 115 | % TODO: Support this in the future 116 | 117 | 118 | % Write outputs (check total # of outputs) 119 | 120 | str = strcat(str,sprintf(' \n output plot trans ')); 121 | for i=1:length(inputs.outputs) 122 | str = strcat(str,sprintf(' %s',inputs.outputs{i})); 123 | end 124 | 125 | % End input file 126 | str = strcat(str,sprintf('\n end')); 127 | -------------------------------------------------------------------------------- /.gitignore: -------------------------------------------------------------------------------- 1 | # Ignore MATLAB backup and generated binary files 2 | *.asv 3 | *.mat 4 | 5 | # Ignore images 6 | *.tif 7 | *.tiff 8 | *.png 9 | *.jpeg 10 | *.jpg 11 | 12 | # Ignore text editor backup files 13 | *~ 14 | 15 | # Ignore matlab error log files 16 | *.log 17 | 18 | # Ignore database summary files and other generated files 19 | Thumbs.db 20 | 21 | -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 1 | MatlabCEA 2 | ============================ 3 | 4 | This Matlab package contains tools for configuring and running 5 | NASA's CEA program. 6 | 7 | Installation 8 | --------------------------- 9 | 10 | ### Using SSH or Linux (recommended) 11 | Use an SSH client to log in to a Linux server if you are not on one, or just 12 | open a terminal. To clone this repository into your Matlab folder (assuming 13 | it is at `~/Personal/MATLAB`), enter the following commands: 14 | 15 | cd ~/Personal/MATLAB 16 | git clone git://github.com/PurdueH2Lab/MatlabCEA.git 17 | 18 | Note: if you are a developer (and want to be able to push changes to this repository), 19 | use the following notation instead: 20 | 21 | git clone git@github.com/PurdueH2Lab/MatlabCEA.git 22 | 23 | To update your version of the code if you have already cloned the repository: 24 | 25 | cd ~/MATLAB/MatlabCEA 26 | git pull 27 | 28 | To have the MatlabCEA folder added to your Matlab path by default, add the 29 | following line to your `startup.m` file in your default Matlab path (create 30 | `startup.m` if it does not exist): 31 | 32 | addpath(fullfile(fileparts(userpath),'MATLAB','MatlabCEA')); 33 | 34 | ### Using the GitHub Windows Client 35 | Download [GitHub for Windows](http://windows.github.com) and install it. Click 36 | the Clone in Desktop button on the right 37 | to clone this repository onto your local machine. The repository will be saved 38 | in your `GitHub` folder by default. 39 | 40 | To update your version of the code, use the 'Sync' button in the GitHub program. 41 | 42 | To have the MatlabCEA folder added to your Matlab path by default, add the 43 | following line to your `startup.m` file in your default Matlab path (create 44 | `startup.m` if it does not exist): 45 | 46 | addpath(fullfile(fileparts(userpath),'GitHub','MatlabCEA')); 47 | 48 | ### Using the Source Download 49 | Download the [source zip file](https://github.com/PurdueH2Lab/MatlabCEA/archive/master.zip). 50 | Extract its contents to your default Matlab folder and rename the newly created 51 | `MatlabCEA-master` folder to `MatlabCEA`. 52 | 53 | To update your version of the code, delete the existing `MatlabCEA` folder and 54 | repeat the above procedure. 55 | 56 | To have the MatlabCEA folder added to your Matlab path by default, add the 57 | following line to your `startup.m` file in your default Matlab path (create 58 | `startup.m` if it does not exist): 59 | 60 | addpath(fullfile(fileparts(userpath),'MATLAB','MatlabCEA')); 61 | 62 | 63 | User Guide 64 | ============================= 65 | 66 | The MatlabCEA package documentation can be viewed in Matlab by typing 67 | 68 | doc CEA 69 | 70 | which will give you a list of functions and classes that are publicly 71 | accessible in the CEA package. 72 | 73 | There are example scripts in the `tests` folder showing how to use the 74 | currently implemented features in MatlabCEA. 75 | 76 | 77 | Future Development 78 | ============================= 79 | This section lists, in no particular order, areas for future development 80 | of this tool. 81 | 82 | * The current version of MatlabCEA uses a Windows CEA executable that is 83 | more than a decade old. The newest version available from NASA, however 84 | uses an interactive prompt that makes it difficult to script. There may 85 | be a way to get around this, or the Fortran source file could be modified 86 | and re-compiled. This would also allow this to be used in Linux 87 | environments. 88 | 89 | * Currently, only rocket problems are implemented. On an as-needed basis, 90 | some of the other possible problem types (e.g. detonation) could be 91 | implemented too. 92 | 93 | * The output currently only reads the data in the Detn.plt file, although 94 | there is a lot more information present in Detn.out. The script could be 95 | modified to read Detn.out if a specific need arose, which would give 96 | species compositions among other things. 97 | -------------------------------------------------------------------------------- /RunTests.m: -------------------------------------------------------------------------------- 1 | % This script runs all the test scripts in the tests folder 2 | 3 | clear all 4 | close all 5 | clc 6 | 7 | testScripts = dir(fullfile('tests','*.m')); 8 | addpath('tests'); 9 | 10 | for i = 1:length(testScripts) 11 | functionName = testScripts(i).name(1:end-2); 12 | fprintf('Running Test %d of %d - %s\n', ... 13 | i,length(testScripts),functionName); 14 | testFcn = str2func(functionName); 15 | testFcn(); 16 | end -------------------------------------------------------------------------------- /doc/Additional Thermo Data.txt: -------------------------------------------------------------------------------- 1 | Heats of formation and chemical compositions 2 | 3 | 4 | 1 * this is the propellant ingredient data file for pep thermochemical * 5 | 2 * program. it provides a nice database of propellant ingredients * 6 | 3 * one should be forewarned that the units for heats of formation are * 7 | 4 * different than those used in the NASA thermochemistry code - you * 8 | 5 * will need to convert from cal/gm to cal/mol by multiplying these * 9 | 6 * values by the molecular weight of the species of interest. * 10 | 7 * * 11 | 8 * * 12 | 9 * * 13 | 10 * * 14 | 11 * * 15 | 12 * * 16 | 13 * * 17 | 14 * * 18 | 15 * heat of 19 | 16 * formation density 20 | 23 * in cal/g lbm/in^3 21 | 24 acan mae chan 9c 16h 10o 8n -776 .1032 22 | 25 acetamide 2c 5h 1o 1n -1310 .0360 23 | 26 acetonitrile solid 2c 3h 1n 309 .0283 24 | 27 acetyl triethyl citrate 22h 14c 8o -1257 .0408 25 | 28 acetylene 2c 2h 1892 .0220 26 | 29 acetylene 2c 2h 1846 .0263 27 | 30 acetylene (gaseous)* 2h 2c 2081 0 28 | 31 acetyltributyl citrate 20c 34h 8o -1097 0 29 | 32 acrylamide 3c 5h 1o 1n -753 0 30 | 33 acrylic acid -hc- 4h 3c 2o -1282 .0384 31 | 34 acrylic nitrile 3c 3h 1n 682 0 32 | 35 acrylonitrile 575c 609h 8o 169n 334 0 33 | 36 acrylonitrile (substituted) 18c 15h 2o 1n -103 0 34 | 37 adamantine 10c 16h -340 0 35 | 38 adhg 149c 516h 214n 293o -1272 .0623 36 | 39 adipic acid 6c 10h 4o 0 37 | 40 adt 3c 2h 10n 931 .0584 38 | 41 air (dry at sea level) 835n 224o 5ar 0 39 | 42 air (350 k) 835n 224o 5ar 10 0 40 | 43 air (400 k) 835n 224o 5ar 23 0 41 | 44 air (450 k) 835n 224o 5ar 36 0 42 | 45 air (500 k) (900 r) 835n 224o 5ar 49 0 43 | 46 air (555.56 k) (1000 r) 835n 224o 5ar 63 0 44 | 47 air (600 k) 835n 224o 5ar 75 0 45 | 48 air (650 k) 835n 224o 5ar 88 0 46 | 49 air (700 k) 835n 224o 5ar 101 0 47 | 50 air (750 k) (1350 r) 835n 224o 5ar 113 0 48 | 51 air (800 k) 835n 224o 5ar 127 0 49 | 52 air (833.33 k) (1500 r) 835n 224o 5ar 135 0 50 | 53 air (875 k) 835n 224o 5ar 147 0 51 | 54 air (925 k) 835n 224o 5ar 160 0 52 | 55 air (1000 k) (1800r) 835n 224o 5ar 180 0 53 | 56 air (1111.1 k) (2000 r) 835n 224o 5ar 201 0 54 | 57 air (1250 k) (2250 r) 835n 224o 5ar 249 0 55 | 58 aluminum flouride 3f 1al -844 0 56 | 59 aluminum (non-reactive) 1u4 .0976 57 | 60 aluminum (pure crystaline) 1al .0976 58 | 61 aluminum beryllium (alloy) 3be 1al .0795 59 | 62 aluminum beryllium (alloy) 1be 1al .0874 60 | 63 aluminum boride 12b 1al -314 .0921 61 | 64 aluminum borohydride 1al 3b 12h -301 .0199 62 | 65 aluminum borohydride 1al 3b 12h -208 0 63 | 66 aluminum boron (alloy) 12b 1al -600 .0978 64 | 67 aluminum carbide 4al 3c -215 .0852 65 | 68 aluminum diboride 2b 1al -1632 .1152 66 | 69 aluminum hydride 1al 3h -92 .0516 67 | 70 aluminum nitride 1n 1al -1407 .1170 68 | 71 aluminum oxide 2al 3o -4000 .0670 69 | 72 aluminum perchlorate 12o 1al 3cl -614 .0939 70 | 73 aluminum trioxide trihydrate 2al 6o 6h -3934 .0874 71 | 74 aluminumborohydridedimethylam 2c 19h 1al 3b 1n -468 .0265 72 | 75 amine terminated polybutadiene 6h 4c 56 .0360 73 | 76 amino tetrozole 3h 1c 5n 585 .0595 74 | 77 amino tetrozole perchlorate 4h 1c 5n 4o 1cl 204 .0668 75 | 78 aminoguanidium biterazole 3c 10h 14n 526 .0562 76 | 79 aminoxylene (xylidene) 11h 8c 1n -65 0 77 | 80 ammonia 3h 1n -1004 .0244 78 | 81 ammonia (gaseous)* 3h 1n -649 0 79 | 82 ammonia triborane 3b 10h 1n -867 0 80 | 83 ammoniated aluminum iodide 1al 3i 20n 60h -782 0 81 | 84 ammoniated aluminum iodide 1al 3i 3n 9h -454 0 82 | 85 ammoniated aluminum iodide 1al 3i 6n 18h -622 0 83 | 86 ammoniated aluminum iodide 1al 3i 5n 15h -592 0 84 | 87 ammoniated aluminum iodide 1al 3i 7n 21h -645 0 85 | 88 ammoniated aluminum iodide 1al 3i 1n 3h -282 0 86 | 89 ammoniated aluminum iodide 1al 3i 9n 27h -676 0 87 | 90 ammoniated aluminum iodide 1al 3i 13n 39h -722 0 88 | 91 ammoniated beryllium iodide 1be 2i 4n 12h -642 0 89 | 92 ammoniated beryllium iodide 1be 2i 13n 39h -792 0 90 | 93 ammoniated beryllium iodide 1be 2i 6n 18h -690 0 91 | 94 ammoniated calcium iodide 1ca 2i 2n 6h -570 0 92 | 95 ammoniated calcium iodide 1ca 2i 1n 3h -507 0 93 | 96 ammoniated calcium iodide 1ca 2i 6n 18h -720 0 94 | 97 ammoniated calcium iodide 1ca 2i 8n 24h -735 0 95 | 98 ammoniated copper nitrate 1cu 6n 6o 12h -769 0 96 | 99 ammoniated copper nitrate 1cu 8n 6o 18h -822 0 97 | 100 ammoniated copper nitrate 1cu 4n 6o 6h -630 0 98 | 101 ammoniated lithium iodide 1li 1i 2n 6h -691 0 99 | 102 ammoniated lithium iodide 1li 1i 4n 12h -799 0 100 | 103 ammoniated lithium iodide 2li 2i 11n 33h -417 0 101 | 104 ammoniated lithium iodide 1li 1i 3n 9h -751 0 102 | 105 ammoniated lithium iodide 1li 1i 7n 21h -857 0 103 | 106 ammoniated lithium iodide 1li 1i 1n 3h -608 0 104 | 107 ammoniated lithium iodide 1li 1i 5n 15h -825 0 105 | 108 ammoniated magnesium iodide 1mg 2i 2n 6h -500 0 106 | 109 ammonium 5-nitraminotetrazole 1c 7n 5h 2o 222 .0538 107 | 110 ammonium acetate 2c 7h 2o 1n -1820 .0422 108 | 111 ammonium aluminum perchlorate 12h 3n 24o 1al 6cl -514 .0756 109 | 112 ammonium azide 4h 4n 452 .0486 110 | 113 ammonium azide 4h 4n 452 .0486 111 | 114 ammonium biborate (h15n2b4o10) 15h 2n 4b 10o -271 .0939 112 | 115 ammonium bicarbonate 1c 5h 3o 1n -2580 .0570 113 | 116 ammonium biflouride(af+liq hf) 5h 1n 2f -3189 0 114 | 117 ammonium borofluoride 4h 1b 1n 4f -2860 .0668 115 | 118 ammonium bromide 4h 1n 1br -659 .0878 116 | 119 ammonium carbonate 1c 8h 2n 3o -2340 0 117 | 120 ammonium chloride 1n 4h 1cl -1410 .0551 118 | 121 ammonium cyanate 1c 4h 1o 2n -1245 .0484 119 | 122 ammonium cyanide 2n 4h 1c 0 120 | 123 ammonium dichromate* 8h 2n 7o 2cr -1688 .0776 121 | 124 ammonium dicyanamide 2c 4h 4n 121 0 122 | 125 ammonium flouride 4h 1n 1f -1287 0 123 | 126 ammonium flouride 4h 1n 1f -3000 .0364 124 | 127 ammonium flourosilicate 2n 8h 1si 6f -3530 .0726 125 | 128 ammonium formate 5h 1c 1n 2o -2108 0 126 | 129 ammonium formate 1c 5h 2o 1n -2105 .0462 127 | 130 ammonium glycollate 2c 7h 3o 1n -1410 0 128 | 131 ammonium glyoxallate 2c 7h 4o 1n -2100 0 129 | 132 ammonium iodide 4h 1n 1i -334 0 130 | 133 ammonium iodide 3h 1n 1i -336 0 131 | 134 ammonium nitrate 4h 2n 3o -1090 .0623 132 | 135 ammonium oxalate 8h 2c 2n 4o -2160 .0542 133 | 136 ammonium oxalate (hydrated) 2c 10h 5o 1n -2400 .0542 134 | 137 ammonium perchlorate 340h 340o 85n 85cl -590 .0704 135 | 138 ammonium perchlorate (ap) 1cl 4h 1n 4o -602 .0704 136 | 139 ammonium periodate 4h 1n 4o 1i -360 .1270 137 | 140 ammonium sulfate 2n 8h 1s 4o -2140 .0639 138 | 141 ammonium sulphate 8h 2n 4o 1s -2133 .0643 139 | 142 ammoniumtrinitroimidazole(atni 3c 6o 4h 6n -16 .0662 140 | 143 amsco 140h solvent 6c 12h -437 .0292 141 | 144 amyl ferrocene 20h 15c 1fe -81 .0422 142 | 145 an 4h 2n 3o -1085 .0623 143 | 146 aniline 7h 6c 1n 79 .0367 144 | 147 anthracene 10h 14c 152 .0451 145 | 148 argon 1ar .0644 146 | 149 astrogell 30h 15c 1o 1al -436 .0540 147 | 150 azo'bis'isobutyronitrile'2,2 8c 12h 4n 333 0 148 | 151 azodicarbonamide 2c 4h 2o 4n -602 0 149 | 152 b-2000 55c 111h 14o -833 .0349 150 | 153 bamo-thf gumstock 370c 648h 83o 255n 83 0 151 | 154 bamo/ammo(50/50) 50c 85h 45n 10o 244 .0451 152 | 155 bamo/azox(50/50) 40c 65h 45n 10o 318 .0480 153 | 156 bamo/bnmo 5c 8h 4o 4n 24 .0523 154 | 157 bamo/thf(53/47) 453c 800h 317n 100o 211 .0427 155 | 158 barium chomate 1cr 4o -1347 0 156 | 159 barium chromate 1ba 1cr 4o -1347 .1625 157 | 160 barium nitrate * 2n 6o 1ba -907 .1170 158 | 161 barium peroxide 1ba 2o -889 .1791 159 | 162 basic lead carbonate 3pb 2c 8o 2h 0 160 | 163 benzene 6h 6c 143 .0317 161 | 164 benzotrifuroxane (btf) 6c 6o 6n 571 .0686 162 | 165 beryllium (non-reactive) 1u2 .0668 163 | 166 beryllium (pure crystaline) 1be .0668 164 | 167 beryllium borohydride 2b 1be 8h -666 .0218 165 | 168 beryllium hydride 1be 2h -399 0 166 | 169 beryllium nitride 3be 2n -2464 0 167 | 170 bis triaminoguanidiniumdecabor 2c 28h 10b 12n 180 0 168 | 171 bis(2,2,2-trintroethyl)sebalat 14c 20h 16o 6n -409 0 169 | 172 bis(2-fluoro-2,2-dinitroethyl) 4c 4h 10o 6n 2f -361 0 170 | 173 nitramine 0 171 | 174 bis(2-fluoro-2,2-dinitroethyl) 4c 5h 8o 5n 2f -439 0 172 | 175 amine 0 173 | 176 bis(2-fluoro-2,2-dinitroethyl) 4c 4h 9o 6n 2f -321 0 174 | 177 nitrosamine 0 175 | 178 bis(2-fluoro-2,2-dinitroethyl) 6c 6h 10o 6n 2f -645 0 176 | 179 oxamide 0 177 | 180 bis(2-fluoro-2,2-dinitroethyl) 6c 4h 12o 4n 2f -798 0 178 | 181 oxalate 0 179 | 182 bis(cmethylhydrazino)decabora 4c 26h 10b 6n 100 .0404 180 | 183 bis(difluoroamino)butane'2,3 4c 8h 4f 2n -353 .0437 181 | 184 bis(difluoroamino)butane'2,3 4c 8h 4f 2n -348 .0438 182 | 185 bis(difluoroamino)difluorometh 1c 6f 2n -698 0 183 | 186 bis(difluoroamino)methylpentan 6c 12h 4f 2n -309 0 184 | 187 bis(difluoroamino)methylpentan 6c 12h 4f 2n -363 .0415 185 | 188 bis(difluoroamino)octane'2,2 8c 16h 4f 2n -347 .0397 186 | 189 bis(dinitro) fluoropropane 3c 5h 1f 2n 4o -530 0 187 | 190 bis(dinitrofluorethyl)formal 5c 6h 2f 4n 10o -559 .0576 188 | 191 bis(dinitropropyl)acetal bdnpa 8c 14h 4n 10o -485 .0491 189 | 192 bis(dinitropropyl)acetal bdnpa 8c 14h 4n 10o -470 .0485 190 | 193 bis(dinitropropyl)formal bdnpf 7c 12h 4n 10o -475 .0516 191 | 194 bis(dinitropropyl)formal bdnpf 7c 12h 4n 10o -457 .0511 192 | 195 bis(fluoroxy)difluoromethane 1c 4f 2o -1122 0 193 | 196 bis(fluoroxy)difluoromethane 1c 4f 2o -1159 .0433 194 | 197 bis(methylhydrazino)decaborane 2c 24h 10b 4n -470 0 195 | 198 bis(triaminoguanidium)5.5-azo 4c 18h 22n 710 .0543 196 | 199 bis(trinitroethyl)nitramine 4c 4h 8n 14o 13 .0008 197 | 200 bis22methoxyethoxy ethyl ether 10c 22h 5o -966 0 198 | 201 bisdifluoroaminoheptane 7c 14h 4f 2n -320 .0426 199 | 202 bistetrazole 2c 2h 8n 1093 .0576 200 | 203 bitetrazole 2c 8n 2h 797 0 201 | 204 bitretrazole 2c 2h 9n 725 0 202 | 205 borine ammoniate 1b 6h 1n -1340 .0264 203 | 206 boron (amorphous) 1b 37 .0856 204 | 207 boron (pure crystaline) 1b .0845 205 | 208 boron (trona) 67b 3o -358 .0845 206 | 209 boron carbide 4b 1c -221 .0905 207 | 210 boron nitride 1b 1n -2430 .0795 208 | 211 boron oxide 2b 3o -4339 .0656 209 | 212 boron slurry 553h 881b 252c 45o 2al -425 .0536 210 | 213 bromine (gas) 2br 46 0 211 | 214 bromine pentafluoride 1br 5f -627 .0888 212 | 215 bromine pentafluoride 1br 5f -586 0 213 | 216 bromine trifluoride 1br 3f -446 0 214 | 217 bromine trifluoride 1br 3f -530 .1012 215 | 218 bromotrifluoromethane 1c 1br 3f -1301 0 216 | 219 bsx 8c 14h 10o 6n -1082 .0650 217 | 220 btnec 4h 5c 6n 15o -430 .0680 218 | 221 btnen 4h 4c 8n 14o 39 .0704 219 | 222 btnev 5c 13o 6h 8n -187 .0675 220 | 223 butane(2,2-bisdifluoroamino) 4c 8h 4f 2n -318 0 221 | 224 butane(2,3-bisdifluoroamino) 4c 8h 4f 2n -348 0 222 | 225 butarez (phillips info) 519h 347c 8o -21 .0325 223 | 226 butarez (phillips info) 519h 347c 8o -21 .0325 224 | 227 butyl rubber 8h 4c -376 .0332 225 | 228 butyl silane 12h 4c 1si 357 0 226 | 229 butylnitramine (normal) 4c 10h 2n 2o -264 .0385 227 | 230 c2h7n (carroz) 2c 7h 1n 0 228 | 231 c5h10n14o8 (reed) 5c 10h 14n 8o 2479 0 229 | 232 calcium bitetrazole 1ca 8n 2c 284 0 230 | 233 calcium boride 519h 347c 8o -21 .0325 231 | 234 calcium carbide 2c 1ca -234 .0801 232 | 235 calcium carbonate (caco3) 1c 3o 1ca -2895 0 233 | 236 calcium chloride 2cl 1ca -1710 .0775 234 | 237 calcium chromate 1ca 1cr 4o -2111 .1044 235 | 238 calcium fluoride 2f 1ca -3722 .1149 236 | 239 calcium formate 2h 2c 4o 1ca -2488 .0728 237 | 240 calcium hydride 2h 1ca -1092 .0614 238 | 241 calcium hydroxide 1ca 2o 2h -3182 .0809 239 | 242 calcium nitrate 1ca 2n 6o -1365 .0852 240 | 243 calcium oxide (cao) 1o 1ca -2710 .1217 241 | 244 calcium perchlorate 1ca 2cl 8o -749 .0957 242 | 245 calcium peroxide 1ca 2o -2185 0 243 | 246 candelilla wax 2c 4h -453 .0325 244 | 247 candellia wax 69c 122h 3o -142 0 245 | 248 carbon (amorphous) 1c 917 .0637 246 | 249 carbon (graphite) 1c .0818 247 | 250 carbon black 1c .0637 248 | 251 carbon dioxide 1c 2o -2137 .0398 249 | 252 carbon disulfide (whew) 1c 2s 276 .0456 250 | 253 carbon monoxide 1c 1o -943 .5721 251 | 254 carbon subnitride 4c 2n 1970 .0350 252 | 255 carbon tetrachloride 1ca 4cl -216 0 253 | 256 carbon tetraflouride (gas) 1c 4f -2505 0 254 | 257 carboxy term. polybutadiene 72c 108h 1o 160 0 255 | 258 carboxy term. polybutadiene 73c 105h 1o 117 0 256 | 259 carboxy term. polybutadiene 69c 103h 19o 30n -29 0 257 | 260 nitrile 0 258 | 261 carboxy term. polybutadiene 680c 962h 53n -143 0 259 | 262 nitrile 0 260 | 263 carboxy term. polybutadiene 688c 999h 13o 34n 33 0 261 | 264 nitrile 0 262 | 265 carboxy term. polybutadiene 691c 928h 1o 5n -56 0 263 | 266 nitrile 0 264 | 267 carboxy term. polyisobutylene 70c 135h 1o -450 0 265 | 268 carnauba wax 67c 127h 4o -460 0 266 | 269 castor diol(hydroxy no.270-295059c 111h 112h -671 0 267 | 270 castor oil 62c 111h 9o -626 .0346 268 | 271 catocene 27c 32h 2fe 115 .0414 269 | 272 cellulose 6c 10h 5o -1417 .0458 270 | 273 cellulose acetate (2) 149h 109c 74o -1183 .0539 271 | 274 cellulose acetate (carbopol) 149h 109c 74o -1079 .0448 272 | 275 cellulose dinitrate 6c 8h 2n 9o -7144 .0599 273 | 276 cellulose trinitrate 6c 7h 3n 11o -524 .0599 274 | 277 celogen 2c 4h 2o 4n -1001 0 275 | 278 cerium 1ce .2419 276 | 279 cerium nitride 1ce 1n -508 0 277 | 280 cesium (pure crystaline) 1cs .0676 278 | 281 cesium azide 1cs 3n -12 0 279 | 282 cesium carbonate 1c 3o 2cs -821 .1521 280 | 283 cesium hydride 1cs 1h 217 .1231 281 | 284 cesium nitrate 1cs 1n 3o -625 .1331 282 | 285 cesium perchlorate 1cs 1cl 4o -447 .1201 283 | 286 cesium tungsten fluoride 6f 1cs 1w -1160 .1770 284 | 287 chlorine 2cl -76 .0536 285 | 288 chlorine heptoxide 2cl 7o 300 0 286 | 289 chlorine monofluoride 1cl 1f -222 0 287 | 290 chlorine pentafluoride (clf5) 1cl 5f -464 .0642 288 | 291 chlorine pentafluoride (gas) 1cl 5f -427 0 289 | 292 chlorine trifluoride 1cl 3f -410 0 290 | 293 chlorine trifluoride 1cl 3f -480 .0652 291 | 294 chromium 1cr .2599 292 | 295 chromium carbonyl jax78/5168 1cr 6c 6o -1170 0 293 | 296 chromium octoate 1cr 24c 45h 6o -506 .0361 294 | 297 circo light process oil 32h 15c -320 .0250 295 | 298 cl15 6c 2h 10o 12n 466 .0715 296 | 299 commercial fluorocarbon 249c 139h 2o 360f -1858 0 297 | 300 copper (pure crystaline) 1cu .3223 298 | 301 copper chloride 2cl 2cu -328 .1270 299 | 302 copper chromite 1cr 1cu 3o -164 .2148 300 | 303 copper hydroxide 2h 2o 1cu -1099 .1216 301 | 304 copper oxide 1o 2cu -278 .2160 302 | 305 copper oxide (hydrated) 2h 2o 1cu -1099 .1216 303 | 306 copper sulfide 1cu 1s -133 .1662 304 | 307 ctpb(arc icrpg/aiaa paper) 579c 984h 22o 5n 1p -342 .0324 305 | 308 cumene hydroperoxide 62c 830h 94o -471 0 306 | 309 cupric oxide 1cu 1o -439 0 307 | 310 cyanamide 1c 2h 2n 219 0 308 | 311 cyanogaunyl azide 2c 2h 6n 881 0 309 | 312 cyanogen (gaseous) 2c 2n 1414 0 310 | 313 cyclohexyl azide 6c 11h 3n 207 .0356 311 | 314 cyclopentyl azide 5c 9h 3n 385 .0353 312 | 315 cyclotetramethylene tetra hmx 8h 4c 8n 8o 61 .0686 313 | 316 datb (diaminitro benzene) 6c 4h 6n 8o -101 0 314 | 317 dcda 2c 4h 4n 71 .0505 315 | 318 decaborane 10b 14h -129 .0339 316 | 319 decaborane a 10b 18h 2n -1198 0 317 | 320 decaborane b 2cs 10b 10h -624 0 318 | 321 decacylene 18h 36c 117 .0596 319 | 322 decadiborane 6h 2b .0079 320 | 323 decahydronapthalene 18h 10c -421 .0319 321 | 324 decalin-tetralin (80-20) 999h 596c -339 0 322 | 325 dekadiazene 10b 22h 4n -381 0 323 | 326 delrin 1c 2h 1o -1373 .0509 324 | 327 delrin 334c 664h 33o -1373 0 325 | 328 delrin 1c 2h 1o -1373 .0397 326 | 329 deta (diethylene triamine, 13h 4c 3n -149 .0344 327 | 330 diethyl triamine) 0 328 | 331 dhtt 4c 10h 16n 647 .0572 329 | 332 dhtt 4c 10h 16n 647 .0597 330 | 333 di iso cyanate (ddi) 38c 72h 2n 2o -354 .0315 331 | 334 di-isobutyl acelate 17c 32h 4o -925 0 332 | 335 di-n-propyl adipate 12c 22h 4o -1184 0 333 | 336 diamino diborane 2b 12h 2n -745 0 334 | 337 diaminoguanidine nitrate 1c 8h 6n 3o -239 0 335 | 338 diaminoguanidinium azide(dazal 2c 8h 8n 741 .0513 336 | 339 diammonium decaborane 10b 18h 2n -450 0 337 | 340 diazidotetranitrotetrazonone 5c 10h 8o 14n 415 .0603 338 | 341 diazidotrinitrazaheptanedath 4c 8h 12n 6o 458 0 339 | 342 dibasic lead phthalate 8c 4h 6o 3pb -292 0 340 | 343 diborane 2b 6h 179 .0158 341 | 344 diborane 2b 6h 354 0 342 | 345 dibutyl phthalate 22h 16c 4o -733 .0378 343 | 346 dibutyl pthalate 575c 790h 144o -754 .0378 344 | 347 dibutyl tin maleate 20h 12c 4o 1sn -931 .0528 345 | 348 dicyandiamide 2c 4h 4n 85 .0505 346 | 349 dicyano'2'butyne'1,4 6c 4h 2n 841 .0415 347 | 350 diesel oil 22h 12c -476 .0254 348 | 351 diethyl phthalate 14h 12c 4o -832 0 349 | 352 diethyl phthalate 12c 14h 4o -733 0 350 | 353 diethyl phthalate 14h 12c 4o -832 0 351 | 354 diethyl phthalate 12c 14h 4o -810 0 352 | 355 diethyl triamine deta 13h 4c 3n -149 .0344 353 | 356 diethylene glycol dinitrate 4c 8h 2n 7o -520 .0497 354 | 357 diethylene glycol monobutyleth 10c 20h 4o -1055 0 355 | 358 eracetate 0 356 | 359 diethylene glycol dimethyl 6c 14h 3o -1014 0 357 | 360 ether 0 358 | 361 diethyleneglycol dinitrate 4c 8h 7o 2n -580 0 359 | 362 diethyloxalate 6c 10h 4o -1324 0 360 | 363 difluoroamine 2f 1h 1n -600 0 361 | 364 difluoromethylenebisoxyfluorid 1c 4f 2o -1121 .0433 362 | 365 dihydronitronitriminopyridine 5c 4h 4n 4o 143 .0650 363 | 366 dihydroxyglyoxime 2c 4h 4o 2n -1080 0 364 | 367 dimer acid/epoxol9s new binder 95c 174h 15o -500 .0343 365 | 368 dimethyl ammon lithium iodide 1li 1i 10c 31h 1n -463 0 366 | 369 dimethyl ammon lithium iodide 1li 1i 6c 19h 1n -473 0 367 | 370 dimethyl ammon lithium iodide 1li 1i 4c 13h 1n -477 0 368 | 371 dimethylacetamide 4c 9h 1o 1n -819 0 369 | 372 dimethylamine-borane adduct 2c 10h 1b 1n -516 0 370 | 373 dinitro toluene 6h 7c 2n 4o -8200 0 371 | 374 dinitrophenoxy ethanol 98h 104c 26n 75o -271 .0565 372 | 375 dinitropropyl acrylate 8h 6c 2n 6o -514 .0471 373 | 376 dioctyl adipate 42h 22c 4o -733 .0332 374 | 377 dioctyl azelate 48h 25c 4o -855 0 375 | 378 dioxane 442c 74h 37o -935 0 376 | 379 dipropylene glycol ester of 63c 864h 67o -893 0 377 | 380 sebacic and malic acids 0 378 | 381 ditrisdifluoroaminomethylurea 3c 2h 12f 8n 1o -203 .0679 379 | 382 dodecahydrodecaboratediammine 10b 18h 2n -564 .0361 380 | 383 dulcitol 6c 14h 6o -1740 .0530 381 | 384 dynamar 732/740 970h 549c 11n 143o -1420 .0376 382 | 385 dynamar hx-730 754h 445c 244o -1200 .0420 383 | 386 dynamar hx-743 942h 554c 80n 81o -380 .0360 384 | 387 e107 (a mixture) 441h 133c 52n 232o 6al 49cl -552 .0604 385 | 388 eg-gap (100-456) 3c 5h 3n 1o 250 .0467 386 | 389 eg-gap gumstock 331c 559h 106o 268n 27 0 387 | 390 epon 828 24h 21c 4o 0 388 | 391 epoxy 201 24h 16c 4o -661 .0404 389 | 392 erl-0510 19h 15c 1n 4o -188 .0444 390 | 393 erythritol tetranitrate 4c 6h 4n 12o -395 0 391 | 394 estane 987h 536c 12n 140o -910 .0379 392 | 395 estane b 55h 302c 1n 10o -940 .0376 393 | 396 ethane(1,1,1-trinitro) 2c 3h 3n 6o -166 .0552 394 | 397 ethane(1,1-dinitro) 2c 4h 2n 4o -289 0 395 | 398 ethane(1,2-bis difluoroamino)g 2c 4h 4f 2n -310 0 396 | 399 ethane(1,2-bis difluoroamino)l 2c 4h 4f 2n -356 0 397 | 400 ethane(1,2-di tetrazolyl) 4c 6h 8n 639 0 398 | 401 ethanethiol 2c 6h 1s -258 0 399 | 402 ethanol 2c 6h 1o -1440 0 400 | 403 ethanolamine 2c 7h 1o 1n -1986 0 401 | 404 ethyl acrylate 5c 8h 2o -877 0 402 | 405 ethyl centralite 17c 20h 2n 1o -127 0 403 | 406 ethyl cyclohexane 8c 16h -453 0 404 | 407 ethylacrylate acrylic acid 495c 786h 204o -1087 0 405 | 408 ethylene 2c 4h 289 .0205 406 | 409 ethylene carbonate 3c 4h 3o -1576 0 407 | 410 ethylene dihydrazine 12h 2c 4n 346 .0396 408 | 411 ethylene dinitramine (edna) 2c 6h 4n 4o -158 .0632 409 | 412 ethylene oxide (gas) 2c 4h 1o -286 0 410 | 413 ethylene oxide (liquid) 2c 4h 1o -420 .0320 411 | 414 ethylenebis(aminoguanidineazid 5c 16h 14n 496 0 412 | 415 ethylenediamine diperchlorate 2c 10h 8o 2n 2cl -439 0 413 | 416 ethytene vinyl acetate 6c 10h 2o -1683 .0345 414 | 417 exo-thdc (jp10,exo 10c 16h -185 .0336 415 | 418 tetrahydrodicyclopentadiene) 0 416 | 419 exo-thtc (exo-tetrahydro 15c 22h -66 .0375 417 | 420 thtricyclopentadiene) liquid 0 418 | 421 f17-47 (sieg) 10c 5o 16h -1390 .0444 419 | 422 f1780 160c 255h 100o -1297 .0433 420 | 423 fapetrin 6c 8h 6f 6n 10o -318 0 421 | 424 fapetrin 6c 8h 6f 6n 10o -268 0 422 | 425 fefo 6h 5c 4n 10o 2f -557 .0578 423 | 426 ferric fluoride 1fe 3f -1772 .1271 424 | 427 ferric oxide (anhydrous)* 3o 2fe -1230 .1818 425 | 428 ferric oxide hematite 2fe 3o -1235 .1848 426 | 429 florox (clf3o) 1o 3f 1cl -371 .0686 427 | 430 fluorine 2f -82 .0543 428 | 431 fluorine (liquid) 2f -76 .0543 429 | 432 fluorine nitrate 1f 1n 3o 31 0 430 | 433 fluoro'2,2'dinitroethanol'2 2c 3h 1f 2n 5o -741 0 431 | 434 fluoroethane(1,1-dinitro-1-) 2c 3h 1f 2n 4o -488 0 432 | 435 fluorotrinitromethide 1c 1f 3n 6o -221 .0573 433 | 436 fluoroxytrifluoromethane 1c 4f 1o -1769 0 434 | 437 fog 885n 14h 231o 5ar -33 0 435 | 438 formamide 3h 1c 1n 1o -1370 .0410 436 | 439 freon 116 (rogers) 2c 6f -2195 0 437 | 440 gan(guanylazide nitrate) 1c 4h 6n 3o 35 .0542 438 | 441 gap (arc calc) 60c 102h 60n 21o 309 .0470 439 | 442 gap (heat of comb dtmn) 60c 102h 60n 21o 282 .0467 440 | 443 gap gumstock 328c 545h 102o 279n 79 .0455 441 | 444 gasoline (liquid) 46h 21c -794 .0257 442 | 445 ge-rtv-615/a+b 2c 6h 1si 1o -1888 .0372 443 | 446 genpol a-20 75h 555c 370o -1110 0 444 | 447 gilsinite 866h 744c 6n 6s -400 .0384 445 | 448 glutamic acid 5c 9h 4o 1n -1610 .0555 446 | 449 glycidyl azide 3c 7h 1o 3n 564 .0470 447 | 450 glycidyl azide(smith) 3c 5h 1o 3n 575 .0467 448 | 451 glyoxal hydrazine polymer 2c 2h 2n 278 .0358 449 | 452 gn 1c 6h 4n 3o -758 .0519 450 | 453 graphite (nonburning) 1u5 .0812 451 | 454 guanadine carbonate 3c 10h 3o 6n -1290 0 452 | 455 guanidine 5h 1c 3n -288 0 453 | 456 guanidine nitrate 6h 1c 4n 3o -843 .0503 454 | 457 guanidinium nitrate 1c 6h 3o 4n -750 0 455 | 458 guanidinium5nitraminotetrazole 2c 7h 2o 9n 58 0 456 | 459 guanidiniumnitraminotetrazlat 2c 7h 9n 2o 141 0 457 | 460 guanidium bitetrazole 3c 7h 11n 369 .0566 458 | 461 guanylaminotetrazole nitrate 2c 6h 8n 3o 95 .0591 459 | 462 guanylaminotetrazole(gat) 2c 5h 7n 255 .0509 460 | 463 guanylazide nitrate 1c 4h 6n 3o 26 0 461 | hadn nh3 oh n(no2)2 4n 4h 5o -34.5 .0625 462 | 464 h c binder (paul) 106h 71c 8n -102 0 463 | 465 hc 434 victor 75h 50c 1o 134 0 464 | 466 hc434 669c 999h 1n 13o -16 .0327 465 | 467 helium 1he .0012 466 | 468 heptadyne 8h 7c -1127 .0293 467 | 469 hexachloroethane 2c 6cl -336 0 468 | 470 hexacyano'3'hexene 12c 6h 6n 862 .0444 469 | 471 hexacyano'3'hexyne 12c 4h 6n 1045 .0437 470 | 472 hexacyano'3,5'octadiyne 14c 4h 6n 1146 .0466 471 | 473 hexakis difluoroamino dipropyl 8h 12f 6n 1o 6c -315 .0596 472 | 474 hexane 14h 6c -464 .0235 473 | 475 hexane (2,2,5 trimethyl) 20h 9c -537 .0246 474 | 476 hexanetrinitrate 6c 11h 9o 3n -420 0 475 | 477 hexanitrobenzene 6c 6n 12o 12 .0717 476 | 478 hexanitroethane (hne) 2c 6n 12o 95 .0812 477 | 479 hmdi 8c 12h 2o 2n -717 .0375 478 | 480 hmx 4c 8h 8n 8o 61 .0686 479 | 481 homo azox 3c 5h 3n 1o 286 .0483 480 | 482 htpb (afapl variant) 654c 988h 8n 20o 123 .0332 481 | 483 htpb (sinclair) 103h 73c 1o 13 .0332 482 | 484 htpb/curative (jos) 656c 978h 5n 13o -498 .0329 483 | 485 hycar 139h 70c 1o -121 .0339 484 | 486 hycat (bennett) 36h 29c 2fe 40 .0441 485 | 487 hycat (bennett) 36h 29c 2fe 40 .0441 486 | 488 hydrated ammonium phosphate 3n 18h 7o 1p -3010 0 487 | 489 hydrazine 4h 2n 376 .0364 488 | 490 hydrazine azide 5h 5n 727 .0470 489 | 491 hydrazine cyanoformate 4c 5h 5n 579 .0462 490 | 492 hydrazine diborane 2b 10h 2n -500 .0339 491 | 493 hydrazine diborane (jos) 2b 10h 2n -502 .0343 492 | 494 hydrazine diperchlorate 6h 2n 8o 2cl -309 .0797 493 | 495 hydrazine hydrate (n2h4.h2o) 6h 2n 1o -2900 .0378 494 | 496 hydrazine nitrate 5h 3n 3o -531 .0595 495 | 497 hydrazine nitroform 5h 1c 5n 6o -95 .0676 496 | 498 hydrazine(1,1-methylcyanoethy 4c 9h 3n 339 .0353 497 | 499 hydrazine(2)borane(8)compound 8b 28h 4n -60 0 498 | 500 hydrazine(3)borane(10)compound 10b 24h 6n -108 0 499 | 501 hydrazine(4)borane(10)compound 10b 28h 8n -92 0 500 | 502 hydrazinium diperchlorate 2cl 6h 2n 8o -296 .0361 501 | 503 hydrazinium nitroformate(hnf) 1c 5h 5n 6o -94 .0671 502 | 504 hydrazinium perchlorate 1cl 5h 2n 4o -320 .0700 503 | 505 hydrazobisisobutyronitrile 8c 14h 4n 172 0 504 | 506 hydrazoic acid (gaseous) 1h 3n 1635 0 505 | 507 hydrazotetrazole'5,5 2c 4h 10n 804 0 506 | 508 hydrocarbon oil 1c 2h -756 0 507 | 509 hydrocarbon polymer 2h 1c -339 .0332 508 | 510 hydrogen (cryogenic) 2h -1068 .0026 509 | 511 hydrogen (gaseous) 2h 0 510 | 512 hydrogen azide 1h 3n 1460 .0394 511 | 513 hydrogen azide 1h 3n 1630 0 512 | 514 hydrogen bromide (gas) 1h 1br -108 0 513 | 515 hydrogen cyanide (gaseous) 1h 1c 1n 932 .0248 514 | 516 hydrogen cyanide (liquid) 1h 1c 1n 1154 .0325 515 | 517 hydrogen fluoride 1h 1f -3581 .0357 516 | 518 hydrogen free radical 1h 52090 0 517 | 519 hydrogen peroxide (100 pc) 2h 2o -1319 .0508 518 | 520 hydrogen peroxide (50 pc) 850h 572o -1927 .0430 519 | 521 hydrogen peroxide (70 pc) 746h 579o -1684 .0464 520 | 522 hydrogen peroxide (90 pc) 642h 586o -1439 .0501 521 | 523 hydrogen peroxide (gaseous) 2h 2o -958 0 522 | 524 hydrogen sulfide 2h 1s -141 .0768 523 | 525 hydrogenated hydroxyterminated 71c 120h 2o -295 0 524 | 526 /polybutadiene 0 525 | 527 hydroxy term. polybutadiene 73c 110h 6o -30 0 526 | 528 hydroxy term. polybutadiene 67c 6h 1o 4n -116 0 527 | 529 nitrile 0 528 | 530 hydroxyethyl cellulose 35h 22c 14o -1200 .0484 529 | 531 hydroxyethyl methacrylate 10h 6c 3o -1260 .0420 530 | 532 hydroxyethylmethacrylate 6c 10h 3o -1153 0 531 | 533 hydroxyl ammonium nitrate(nbs) 2n 3h 4o -908 0 532 | 534 hydroxyl radical 1h 1o 591 0 533 | 535 hydroxylamine 3h 1n 1o -793 0 534 | 536 hydroxylammonium nitrate 4h 4o 2n -843 0 535 | 537 hydroxylammonium perchlorate 4h 5o 1cl -496 0 536 | 538 hydroxylammoniumperchlorate 1cl 4h 1n 5o -497 .0767 537 | 539 hydroxyterminat polybutadiene 103h 73c 1o 13 .0332 538 | 540 hylene w (hf estimated) 15c 22h 2n 2o -150 .0386 539 | 541 idp (b. lee) 38h 19c 2o -908 .0312 540 | 542 iodic acid 1h 1i 3o -324 .1671 541 | 543 iodine 2i .1780 542 | 544 iodine pentafluoride 5f 1i -928 .1140 543 | 545 iodine pentoxide 5o 2i -127 .1732 544 | 546 iodine trichloride 1i 3cl -90 .1125 545 | 547 iodoform (chi3) 1h 1c 3i -85 .1443 546 | 548 ipdi 12c 18h 2n 2o -501 .0384 547 | 549 irfna 82.8ac 14no2 2.5h2o .7hf 4f 186h 185n 536o -541 .0567 548 | 550 iron 1fe .2837 549 | 551 iron carbonate 1fe 1c 3o -1623 0 550 | 552 iron oxide 3o 2fe -1230 .1840 551 | 553 iron oxide (yellow) 2h 4o 2fe -1490 .1318 552 | 554 iron pentacarbonyl 1fe 5c 5o -958 0 553 | 555 iso octane 18h 8c -470 0 554 | 556 isobutylbenzene 10c 14h -124 .0313 555 | 557 isobutylbenzene (use 1054) 10c 14h -12 .0313 556 | 558 isodecyl pelargonate 19c 38h 2o -714 0 557 | 559 isopropyl alcohol 3c 8h 1o -1265 .0284 558 | 560 isopropylammonium nitrate 3c 10h 3o 2n -813 0 559 | 561 jp 10 (exo-thdc,exo- 10c 16h -185 .0336 560 | 562 tetrahydrodicyclopentadiene) 0 561 | 563 jp4 (liquid turbojet fuel) 17h 9c -281 .0254 562 | 564 jp5 (bert stull) 19h 10c -411 .0296 563 | 565 jp5 (mont stevens standard) 19h 10c -387 .0296 564 | 566 jp5 (old, see mont stevens) 16h 9c -278 .0296 565 | 567 kraton 4h 3c -1073 .0340 566 | 568 kraton (co-polymer) 6h 4c -100 .0342 567 | 569 kraton styrene butadiene 4h 3c -1073 .0340 568 | 570 lacquer nitrocellulose 600c 774h 226n 952o -663 .0599 569 | 571 laminac 5c 5h 1o -835 .0436 570 | 572 laminac 4116 555h 558c 171o -574 0 571 | 573 lauryl methacrylate 32h 17c 2o -700 .0314 572 | 574 lead (pure crystaline) 1pb .4096 573 | 575 lead 2-ethyl hexoate 34h 16c 4o 1pb 0 574 | 576 lead acetyl salicylate 14h 18c 8o 1pb -857 0 575 | 577 lead azide 6n 1pb 397 0 576 | 578 lead beta recorcylate 21h 7c 7o 1pb 0 577 | 579 lead dioxide 2o 1pb -276 .3384 578 | 580 lead iodate 1pb 2i 6o -267 .1913 579 | 581 lead nitrate (lee) 2n 6o 1pb -324 .1637 580 | 582 lead oxide 1pb 1o -235 .3440 581 | 583 lead oxide (litharge) 1o 1pb -235 .3440 582 | 584 lead oxide (massicot) 1o 1pb -235 .2888 583 | 585 lead oxide (minium) 4o 3pb -262 .3286 584 | 586 lead oxide (plattnerite) 2o 1pb -66 .3384 585 | 587 lead salicylate 10h 14c 6o 1pb -84 .0337 586 | 588 lead salicylate 10h 14c 6o 1pb -84 .0337 587 | 589 lead styphnate 1pb 6c 3h 3n 9o -205 .1091 588 | 590 lead-4,4-diacetomido salicylat 18c 16h 8o 2n 1pb -709 0 589 | 591 lithium (pure crystaline) 1li .0193 590 | 592 lithium aluminum hexa hydride 1al 6h 3li -1417 .0401 591 | 593 lithium aluminum perchlorate 3li 24o 1al 6cl -645 .0897 592 | 594 lithium aluminum tetra hydride 1al 4h 1li -690 .0331 593 | 595 lithium amide* 2h 1li 1n -1894 .0329 594 | 596 lithium azide 1li 3n 57 0 595 | 597 lithium beryllium hydride 1be 4h 2li -2968 0 596 | 598 lithium borohydride 1b 4h 1li -2131 .0246 597 | 599 lithium carbide 2li 2c -375 .0596 598 | 600 lithium carbonate 2li 1c 3o -3900 .0762 599 | 601 lithium chloride 1li 1cl -1247 .0747 600 | 602 lithium dicyanamide 2c 1li 3n -120 0 601 | 603 lithium fluoride 1li 1f -5620 .0939 602 | 604 lithium hydride 1h 1li -2726 .0296 603 | 605 lithium hydroxide 1h 1li 1o -4868 .0917 604 | 606 lithium nitrate 1li 1n 3o -1670 .0859 605 | 607 lithium nitride 3li 1n -1355 .0498 606 | 608 lithium perchlorate (liclo4) 1cl 1li 4o -854 .0877 607 | 609 lithium periodate 1li 4o 1i -490 .1520 608 | 610 lithium peroxide 2li 2o -3307 .0853 609 | 611 low acetyl cellulose acetate 428c 572h 267o -1275 0 610 | 612 lp-205 416c 846h 85o 87s -720 .0408 611 | 613 lp-33 314c 655h 107o 121s -696 .0458 612 | 614 lp-33 314c 655h 107o 121s -696 .0458 613 | 615 magnesium (non-reactive) 1u3 .0628 614 | 616 magnesium (pure crystaline) 1mg .0628 615 | 617 magnesium aluminum hydride 2al 8h 1mg -365 .0378 616 | 618 magnesium boride 2b 1mg -478 .0970 617 | 619 magnesium cyanamide 1mg 1c 2n -937 0 618 | 620 magnesium fluoride 2f 1mg -2862 .1083 619 | 621 magnesium hydride 2h 1mg -645 .0524 620 | 622 magnesium nitrate 1mg 2n 6o -1272 .0731 621 | 623 magnesium oxide 248mg248o -3567 .1292 622 | 624 magnesium oxide 1o 1mg -3610 .1300 623 | 625 magnesium perchlorate 8o 1mg 2cl -630 .0939 624 | 626 manganese 1mn .2599 625 | 627 manganese dioxide 1mn 2o -1430 .1816 626 | 628 mapo (arc) 18h 9c 1o 3n 1p -266 0 627 | 629 mar 658 40c 46h 8o -696 .0419 628 | 630 melamine 6c 6h 6n -165 0 629 | 631 mercapto term. polybutadine 669c 941h 4o 1s 47 0 630 | 632 nitrile 0 631 | 633 mercuric fluoride 2f 1hg -398 .3216 632 | 634 mercuric oxide 1o 1hg -100 .4023 633 | 635 mercurous azide 2hg 6n 292 0 634 | 636 mercury (liquid) 1hg .4873 635 | 637 methane 1c 4h -1271 .0153 636 | 638 methanol 4h 1c 1o -1780 .0287 637 | 639 methoxy-di-(batoxydiethylene 52c 111h 16o -1229 0 638 | 640 glycol) 0 639 | 641 methoxyamine 1c 5h 1n 1o -276 0 640 | 642 methyl acrylate (liq.) -hc- 6h 4c 2o -954 .0384 641 | 643 methyl alcohol 4h 1c 1o -1781 .0285 642 | 644 methyl ammonia 5h 1c 1n -216 .0236 643 | 645 methyl napthalene (1-) 10h 11c 9 .0370 644 | 646 methylin-tetralin (70-30) 106h 107c 2 .0365 645 | 647 methylnitroacetate 3c 5h 1n 4o -922 0 646 | 648 mixed hydrazine fuel 3 647h 93c 231n 297 .0323 647 | 649 mixed hydrazine fuel 5 114h 12c 46n 6o 149 .0361 648 | 650 mixed oxides of nitrogen 63n 101o 43 .0520 649 | 651 mna 7c 8h 2n 2o -49 .0433 650 | 652 molybdenum carbonyl jax78/5168 1mo 6c 6o -889 0 651 | 653 molybdenum trioxide 1mo 3o -1253 0 652 | 654 mon 25'75 175n 325o 69 .0498 653 | 655 monobasic ammonium phosphate 1n 6h 1p 4o -3020 .0651 654 | 656 monobasic cupric resorcylate 14c 10h 9o 2cu -2782 0 655 | 657 monobasic cupric salicylate 14c 10h 7o 2cu -700 0 656 | 658 monobasic lead resorcylate 14c 10h 9o 2pb -1900 0 657 | 659 monobasic lead salicylat 14c 10h 9o 2pb -332 0 658 | 660 monomethyl hydrazine (mmh) 6h 1c 2n 276 .0316 659 | 661 monomethylhydrazine nitrate 1c 7h 3o 3n -565 0 660 | 662 n p amine 7h 6c 1n -1287 .0329 661 | 663 n,n dinitrosopentamethylenetet 5c 10h 6n 2o 269 .0545 662 | 664 ramine 0 663 | 665 n,n,n'-trifluorohexaneamidine 6c 11h 2n 3f -307 0 664 | 666 n,n-dinitro-n-butylamine (dnba 4c 9h 3n 4o -13 .0433 665 | 667 n-100 3c 5h 1o 3n 576 .0470 666 | 668 n-amyl alcohol 5c 12h 1o -922 .0509 667 | 669 n-butane (gas) 10h 4c -513 0 668 | 670 n-butyl acrylate 7c 12h 2o -799 0 669 | 671 n-butyl benzene (benson) 10c 14h -119 .0313 670 | 672 n-butyl benzene (lange) 10c 14h -139 .0313 671 | 673 n-butyl ferrocene 18h 14c 1fe 10 .0430 672 | 674 n-fluoro-n-butylnitramine 4c 9h 2o 2n 1f -288 0 673 | 675 n-fluoro-sec-butylnitramine 4c 9h 2o 2n 1f -279 0 674 | 676 n-fluoro-tert-butylnitramine 4c 9h 2o 2n 1f -225 0 675 | 677 n-phenylmorpholine 13h 10c 1n 1o -123 .0409 676 | 678 n1,n1,0-tris(2-fluoro-2,2-dini 7c 6h 14o 7n 3f -568 0 677 | 679 troethyl)-carbamate 0 678 | 680 n2o4 (nto nisc) 2n 4o -51 .0517 679 | 681 naphthenic type oil 73c 117h -167 0 680 | 682 napthalene 10c 8h 184 .0413 681 | 683 nf4bf4 1b 1n 8f -1640 .0853 682 | 684 nga (ct) 545c 946h 159o -1088 .0379 683 | 685 nickel 1ni .3215 684 | 686 nickel carbide 3ni 1c 58 .2872 685 | 687 nickel chloride 2cl 1ni -580 .1280 686 | 688 nickel oxide 1o 1ni -782 .2708 687 | 689 nielsen compound 13c 26h 4n -104 0 688 | 690 nitrate 5h 3n 3o -932 0 689 | 691 nitric acid (gas) 1h 1n 3o -509 0 690 | 692 nitric acid (liq) 1h 1n 3o -658 .0542 691 | 693 nitroaminoguanidine 1c 5h 5n 2o 45 0 692 | 694 nitrocellulose (12.6percent n)755h 600c 245n 990o -617 .0560 693 | 695 nitroethane 2c 5h 1n 2o -442 .0376 694 | 696 nitrogen 2n -104 .0292 695 | 697 nitrogen (gaseous) 2n 0 696 | 698 nitrogen (liq) 2n -73 0 697 | 699 nitrogen gas 2n 0 698 | 700 nitrogen pentoxide 2n 5o -93 .0593 699 | 701 nitrogen tetroxide (gaseous) 2n 4o 24 0 700 | 702 nitrogen tetroxide (n2o4) liq 2n 4o .0517 701 | 703 nitrogen trifluoride 3f 1n -480 .0562 702 | 704 nitrogen trifluoride 3f 1n -416 0 703 | 705 nitroglycerin 3c 5h 3n 9o -400 .0578 704 | 706 nitroguanidine 1c 4h 4n 2o -209 .0625 705 | 707 nitroguanyl azide 1c 2h 6n 2o 548 0 706 | 708 nitromethane 1c 3h 1n 2o -443 0 707 | 709 nitronitraminopyridiniumclo4 5c 5h 1cl 4n 8o 7 .0650 708 | 710 nitronium aluminum perchlorat 1al 6cl 3n 30o -160 0 709 | 711 nitronium perchlorate 1cl 1n 6o 61 .0794 710 | 712 nitropropene polymer 3c 5h 1n 2o -353 0 711 | 713 nitrosoamine(n,n-dimethyl) 2c 6h 2n 1o 16 .0036 712 | 714 nitrosol binder 143h 105c 46n 164o -476 .0515 713 | 715 nitrostarch 60c 75h 101o 25n -613 0 714 | 716 nitrosyl fluoride 1f 1n 1o -324 0 715 | 717 nitrosyl perchlorate 1cl 1n 5o -284 .0783 716 | 718 nitrosyltetrafluorochlorate 1cl 4f 1n 1o -489 .1029 717 | 719 nitrourea 1c 3h 3n 3o -611 0 718 | 720 nitrous oxide 2n 1o 443 .0714 719 | 721 nitryl fluoride 1f 1n 2o -290 0 720 | 722 nitryltetrafluorochlorate 1cl 4f 1n 2o -305 0 721 | 723 no2 (gas) 1n 2o 174 0 722 | 724 nonfunctional polybutadiene 4c 6h 25 0 723 | 725 nonfunctional polybutadiene 4c 6h 88 0 724 | 726 normal heptane 16h 7c -448 0 725 | 727 normal hexyl carborane 8c 24h 10b -398 .0379 726 | 728 nos 283 54c 459h 307o 150n -1570 .0531 727 | 729 nos365 58c 476h 320o 161n -1421 .0560 728 | 730 noset-a 326c 644h 401o 100n -640 .0469 729 | 731 nq 1c 4h 4n 2o -212 .0620 730 | 732 nwc-gap-2(mw) 114c 192h 112n 39o 250 .0467 731 | 733 nylon 6 polyamide 6c 11h 1o 1n 143 0 732 | 734 nylon 6/6 polyamide 12c 22h 2o 2n 231 0 733 | 735 o2/h2 (o/f =1 .6058) 889h 594o 0 734 | 736 octane 18h 8c -470 0 735 | 737 oleic acid (vegetable oil)-hc- 34h 18c 2o -723 .0323 736 | 738 otto ii 471c 876h 552o 155n -696 .0452 737 | 739 otto ii 274c 526h 306o 94n -696 .0452 738 | 740 otto ii gary 295c 565h 328o 100n -526 .0448 739 | 741 oxalic acid 2c 4o 2h -2195 .0686 740 | 742 oxalic acid dihydrate 2c 6o 6h -2704 .0597 741 | 743 oxamid (b. lee) 4h 2c 2n 2o -1376 .0602 742 | 744 oxsol i 370h 410o 100n 70cl -1081 .0618 743 | 745 oxsol ii 396h 404o 109n 65cl -934 .0618 744 | 746 oxychlorine trifluoride 1o 3f 1cl -371 .0686 745 | 747 oxychlorine trifluoride 1o 3f 1cl -360 .0669 746 | 748 oxygen (gas) 2o 0 747 | 749 oxygen (liquid) 2o -97 .0412 748 | 750 oxygen difluoride 2f 1o -81 0 749 | 751 oxygen difluoride 2f 1o -155 .0549 750 | 752 ozone 3o 631 .0523 751 | 753 p-quinonedioxime 434c 434h 145o 145n -700 .0505 752 | 754 papi 224c 155h 27o 27n -202 .0448 753 | 755 paraffinic oil 73c 124h -367 0 754 | 756 pcde 2h 3c 2n 1o 2f -198 .0549 755 | 757 pcl polymer (o,neill) 9o 26c 1n 42h -1278 .0419 756 | 758 pcp0240 564c 999h 217o -1393 .0395 757 | 759 pcp0301 564c 999h 217o -1393 .0396 758 | 760 peg4000 (carbowax) 2c 4h 1o -1058 .0435 759 | 761 pentaborane (gaseous) 5b 9h 237 .0231 760 | 762 pentaborane (liquid) 5b 9h 122 0 761 | 763 pentaerithritol 5c 12h 4o -1609 .0523 762 | 764 pentaerythritol tetranitrate 5c 8h 4n 12o -401 .0640 763 | 765 pentakis(hydrazine)decaborane 10b 34h 10n 40 0 764 | 766 perchloric acid (anhydrous) 1cl 1h 4o -110 .0639 765 | 767 perchloryl fluoride (clo3f) 1cl 1f 3o -50 0 766 | 768 perfluoro methacrylate 6h 8c 2o 8f -1800 .0650 767 | 769 perfluoroformamidine (pff) 1c 4f 2n -290 0 768 | 770 perfluoroguanidine (pfg) (gas) 1c 5f 3n 162 0 769 | 771 perfluoroguanidine (pfg) (liq) 1c 5f 3n 127 0 770 | 772 perfluoropiperidine 5c 11f 1n -1703 0 771 | 773 perfluoropiperidine 5c 11f 1n -1728 .0625 772 | 774 petrin 9h 5c 3n 10o -513 .0557 773 | 775 petrolatum(technical) 71c 131h -325 0 774 | 776 petroleum jelly 72c 130h -161 0 775 | 777 phenoxy 98h 104c 26n 75o 271 .0565 776 | 778 phenyl azide 6c 5h 3n 694 .0393 777 | 779 phosphited polyalkylpolyphenol 67c 109h 4o n -388 0 778 | 780 phosphorus (red) 1p -136 .0794 779 | 781 plasticizer(ester of fat acid) 64c 128h 6o -615 0 780 | 782 plastisol nitrocellulose 755h 600c 245n 990o -586 .0599 781 | 783 plexiglass 8h 5c 2o -906 .0426 782 | 784 pnc 755h 600c 245n 990o -586 .0599 783 | 785 poly 3 floro 3 nitro oxetane 48c 66h 49o 16n 16f -938 0 784 | 786 poly glycidyl nitride 3c 5h 4o 1n -546 .0534 785 | 787 poly-1,4-butylene glycol 54c 110h 15o -781 0 786 | 788 polyacrylamide 3c 5h 1n 1o -1590 0 787 | 789 polyacrylonitrile 3h 3c 1n 74 .0398 788 | 790 polyamine composite 30c 105h 25n -316 .0342 789 | 791 polybutadiene/acrylonitrile co653c 854h 19o 72n 314 0 790 | 792 polymer 0 791 | 793 polybutadiene/acrylonitrile co654c 848h 4o 89n 156 0 792 | 794 polymer 0 793 | 795 polybutadiene/acrylonitrile co664c 881h 8o 66n 138 0 794 | 796 polymer 0 795 | 797 polybutadiene (see butarez) 6h 4c 55 .0364 796 | 798 polybutadiene acr a (thiokol) 999h 671c 19n 16o -160 .0330 797 | 799 polybutadiene acrylic acid 104h 70c 4o -84 .0337 798 | 800 polybutadiene diol 73c 110h 5o 86 0 799 | 801 polybutene-6 72c 141h -315 0 800 | 802 polyethylen glycol 2c 4h 1o -1058 .0435 801 | 803 polyethylene 2c 4h -453 .0325 802 | 804 polyethylene (film) 2c 4h -491 0 803 | 805 polyethylene (pellets) 2c 4h -478 0 804 | 806 polyethyleneammonium nitrate 322c 827h 199o 151n -675 0 805 | 807 polyethylenehydrazine (peh) 2c 6h 2n 4 0 806 | 808 polyglyceryl oleate 565c 851h 148o 10 0 807 | 809 polymeg 1000 4c 8h 1o -874 .0355 808 | 810 polymeg 2000 4c 8h 1o -874 .0354 809 | 811 polymerized formaldehyde 2h 1c 1o -1343 .0509 810 | 812 polymethyl vinyltetrazole 6h 4c 4n 470 .0462 811 | 813 polymethylene polyphenylisocya 8c 6h 1o 1n -278 0 812 | 814 nate 0 813 | 815 polyoxyethylene sorbitan monol 50c 103h 19o -1132 0 814 | 816 laurcite 0 815 | 817 polypropylen glycol 12h 6c 2o -855 0 816 | 818 polypropylene film 3c 6h -471 0 817 | 819 polypropylene glycol 52c 108h 17o -1088 .0361 818 | 820 polystyrene 8c 8h 106 .0379 819 | 821 polysulphide lp2 120c 242h 48o 48s -589 .0458 820 | 822 polytetrafluoroethylene 2c 4f -1952 .0834 821 | 823 polytetramethyleneether glycol 54c 114h 15o -516 0 822 | 824 polyurethane binder 987h 536c 12n 140o -910 .0379 823 | 825 polyvinylpyrrolidine 520c 788h 109o 88n -331 0 824 | 826 potassium 1k .0500 825 | 827 potassium amalgam 1k 1hg -48 0 826 | 828 potassium azide 1k 3n -5 .0736 827 | 829 potassium carbonate 1c 3o 2k -1495 .0877 828 | 830 potassium chloride 1cl 1k -1397 .0717 829 | 831 potassium ferricynanide 3k 1fe 6c 6n -126 .0684 830 | 832 potassium hydride 1k 1h -339 .0516 831 | 833 potassium iodate (kio3) 1k 1i 3o -568 .1405 832 | 834 potassium nitrate 1n 3o 1k -1167 .0767 833 | 835 potassium perchlorate (kclo4) 1cl 1k 4o -742 .0910 834 | 836 potassium peroxide 2k 2o -1071 0 835 | 837 potassium sulfate 4o 1s 2k -1966 .0962 836 | 838 potassium sulfide 2k 1s -907 .0652 837 | 839 pp-4 (poly n-methylnitramine 46c 94h 22n 35o -404 .0491 838 | 840 glycidyl ether) 0 839 | 841 propane 8h 3c -591 0 840 | 842 propane(1,1,1,3-tetranitro) 3c 4h 4n 8o -172 0 841 | 843 propane(1,1,1-trinitro) 3c 5h 3n 6o -157 0 842 | 844 propane(1,1-dinitro) (gaseous) 3c 6h 2n 4o -186 0 843 | 845 propane(1,1-dinitro) (liquid) 3c 6h 2n 4o -297 .0455 844 | 846 propane(1,2-bis difluoroamino) 3c 6h 4f 2n -294 0 845 | 847 propane(1,2-bis difluoroamino) 3c 6h 4f 2n -349 0 846 | 848 propane(1,3-dinitro) 3c 6h 2n 4o -399 .0489 847 | 849 propane(1-nitro) 3c 7h 1n 2o -448 .0358 848 | 850 propane(2,2-dinitro) 3c 6h 2n 4o -338 .0469 849 | 851 propane(2-nitro) 3c 7h 1n 2o -491 .0355 850 | 852 propylene 3c 6h 116 0 851 | 853 propylene poly glycol diacryl 102h 54c 19o -1000 .0379 852 | 854 propyne 3c 4h 1106 0 853 | 855 pyromellitic dianhydride 10c 2h 6o -1148 0 854 | 856 r-18 624c 999h 374o -1364 .0326 855 | 857 r45 661c 999h 1n 9o 40 .0325 856 | 858 r45 htpb (utc) 981h 654c 6o 5 .0336 857 | 859 r45m 667c 999h 5o -30 .0433 858 | 860 rdx(hexahydrotrinitrotriazine) 3c 6h 6n 6o 66 .0656 859 | 861 red fuming nitric acid (14no2)151h 165n 471o -654 .0567 860 | 862 red fuming nitric acid (20no2) 85h 114n 314o -544 .0567 861 | 863 resorcinol 6h 6c 2o -784 .0463 862 | 864 rex-1 6c 8h 2f 8n 12o -294 .0646 863 | 865 rj4(mil-f-82522a,th-dimer) 20h 12c -198 .0334 864 | 866 rj5 (shelldyne-h) 184h 140c 107 .0390 865 | 867 rp-1 2h 1c -1340 .0289 866 | 868 rp-1 (rpl) 195h 100c -361 0 867 | 869 rubidium 1rb .0553 868 | 870 s-02 141c 704h 352o 141n -2397 .0542 869 | 871 s-06 368c 884h 295o -1145 .0523 870 | 872 sea water 998h 499o 3na 1mg 5cl -3792 .0361 871 | 873 shell epon 815 21c 24h 4o -327 .0409 872 | 874 shelldyne h(rj5) 184h 140c 107 .0390 873 | 875 shelldyne-butylbenzene (9-1) 991h 749c 84 .0382 874 | 876 silicon (pure crystaline) 1si .0874 875 | 877 silicon dioxide (pure mojave) 2o 1si -3418 .0759 876 | 878 silicon tetrachloride 1si 4cl -901 .0535 877 | 879 silicone 6h 2c 1o 1si -1820 .0361 878 | 880 silver iodate 3o 1i 1ag -149 .2010 879 | 881 silver iodide 1ag 1i -64 .2049 880 | 882 silver metal 1ag .3791 881 | 883 silver nitrate 1ag 1n 3o -173 .1571 882 | 884 silver oxide 2ag 1o -32 .2581 883 | 885 sodium (pure crystaline) 1na .0350 884 | 886 sodium aluminum amide 1al 8h 4n 1na -1520 0 885 | 887 sodium azide 3n 1na 80 .0668 886 | 888 sodium azide +teflon (stoich) 1c 6n 2f 2na -478 0 887 | 889 sodium barbiturate 3h 4c 2n 3o 1na -1393 .0793 888 | 890 sodium borohydride 1b 4h 1na -1206 .0390 889 | 891 sodium carbonate 1c 3o 2na -821 .0914 890 | 892 sodium chlorate 1na 1cl 3o -805 .0899 891 | 893 sodium chloride 1na 1cl -1672 .0782 892 | 894 sodium fluoride 1f 1na -3245 .1008 893 | 895 sodium hydride 1na 1h -571 .0504 894 | 896 sodium hydroxide 1na 1o 1h -2548 .0769 895 | 897 sodium iodate (aq - dhskio3) 1na 1i 3o -535 .1544 896 | 898 sodium iodide 1na 1i -459 .1324 897 | 899 sodium nitrate 1n 3o 1na -1312 .0816 898 | 900 sodium perchlorate 4o 1na 1cl -750 0 899 | 901 sodium peroxide 2na 2o -1546 .1011 900 | 902 sodium potassium liq alloy 3k 1na -43 0 901 | 903 sodium thiocyanate 1na 1c 1n 1s -515 0 902 | 904 sorbitol pentanitrate 6c 9h 16o 5n -463 0 903 | 905 span 85 30h 15c 1o -685 .0540 904 | 906 staboxol p 13c 10h 2n -41 .0379 905 | 907 steam 2h 1o -3208 0 906 | 908 styrene 8h 8c 80 .0388 907 | 909 succinic acid 4c 6h 4o -1900 .0567 908 | 910 sucrose (table sugar) 22h 12c 11o -1550 .0574 909 | 911 sulfur 1s .0747 910 | 912 sulfur (monoclinic) 1s 2 .0708 911 | 913 sulfur dioxide 1s 2o -1108 .1057 912 | 914 sulfur hexaflouride 1s 6f 699 .0679 913 | 915 sulfur trioxide 1s 3o -1307 .0993 914 | 916 sulfuric acid 2h 1s 4o -1977 .0662 915 | 917 sulphur 1s .0730 916 | 918 syfo 14h 11c 8n 10o 10f -441 .0592 917 | 919 sylgard 1si 1o 6h 2c -1860 0 918 | 920 tagn 1c 9h 7n 3o -84 .0569 919 | 921 tagn 1c 9h 7n 3o -69 .0556 920 | 922 talc (dh est from forsterite) 4si 11o 2h 3mg -3470 .3470 921 | 923 tatb 6c 6n 6o 6h -143 .0698 922 | 924 tedgn 6c 12h 8o 2n -645 .0480 923 | 925 teflon 1c 2f -1930 .0794 924 | 926 tepa.no3 8c 28h 15o 10n -605 .0592 925 | 927 teracol te2000 111c 222h 37o -1897 .0379 926 | 928 tetracyanocyclopropane1,1,2,2 7c 2h 4n 1007 .0495 927 | 929 tetracyanoethylene 6c 4n 1174 .0469 928 | 930 tetraethyl lead 20h 8c 1pb 161 .0599 929 | 931 tetraethylammonium nitrate 8c 20h 3o 2n -600 0 930 | 932 tetraethylpentamineperchlorate 28h 8c 5n 20o 5cl -545 .0470 931 | 933 tetrafluorohydrazine (n2f4) 4f 2n -19 0 932 | 934 tetraformaltrisazine 4c 12h 6n 583 .0472 933 | 935 tetrahydronapthalene 12h 10c -13 .0354 934 | 936 tetrakis amly acrylate (taa) 8c 10h 8f 4n 2o -396 .0530 935 | 937 tetrakis(difluoroamino) (thf) 4c 4h 8f 4n 1o -266 .0579 936 | 938 tetrakis(hydrazine)decaborane 10b 30h 8n -10 0 937 | 939 tetrakisdifluoroaminomethane 1c 8f 4n 18 .0631 938 | 940 tetralin-decalin (70-30) 999h 726c -135 .0342 939 | 941 tetramethyl lead 12h 4c 1pb 202 .0721 940 | 942 tetramethylaminotriborohydride 4c 20h 3b 1n -293 0 941 | 943 tetramethylammonium nitrate 293c 871h 220o 147n -624 0 942 | 944 tetramethylammoniumbitetrazole 6c 13h 9n 118 .0488 943 | 945 tetramethyltricyclodecylenedia 14c 26h 2n -145 .0352 944 | 946 tetranitro difluoroethane 2c 2f 4n 8o -368 0 945 | 947 tetranitro methane 1c 4n 8o 45 .0593 946 | 948 tetranitroethylenediamine 2c 4h 6n 8o 198 .0632 947 | 949 tetranitromethane 1c 4n 8o 45 .0592 948 | 950 tetrazole 1c 2h 4n 809 0 949 | 951 tetrazole plasticizer 5c 10h 4n 1o 300 .0467 950 | 952 tetrazole polyurethane 999h 523c 133o 243n -390 .0410 951 | 953 tetrazole(2-methyl-5-amino) 2c 5h 5n 500 0 952 | 954 tetrazole(5,5-hydrazo) 2c 4h 10n 800 0 953 | 955 tetrazole(5-amino) 1c 3h 5n 585 .0596 954 | 956 tetrazole(5-cyano) 2c 1h 5n 1010 0 955 | 957 tetrazole(5-hydroxy) 1c 2h 4n 1o -17 0 956 | 958 th-dimer (rj4) 20h 12c -198 .0334 957 | 959 thermax 1c .0704 958 | 960 thiokol tp-h-3314 (no fe) 760h 352o 231c 105n 68cl 18s -735 .0549 959 | 961 thorium 1th .4043 960 | 962 tin (grey) 1sn .2076 961 | 963 titanium hydride 1ti 2h -691 .1409 962 | 964 titanium boride 2b 1ti -1000 .1626 963 | 965 titanium diboride 2b 1ti -973 .1625 964 | 966 titanium dioxide 1ti 2o -2551 0 965 | 967 tmetn 5c 9h 3n 9o -415 .0537 966 | 968 tmhn(trimethylhydrazinenitrate 3c 11h 3n 3o -554 .0484 967 | 969 tneng 3c 8o 5h 7n -63 .0704 968 | 970 tnsd 6c 10h 8o 8n 85 .0614 969 | 971 tnsu 7c 12h 8o 8n 15 .0621 970 | 972 tnt 7c 5h 3n 6o -48 .0597 971 | 973 tnt 7c 3n 6o 5h 79 .0597 972 | 974 tntad 6c 10h 8o 8n 54 .0650 973 | 975 toluene diamine 13h 7c 2n -16 .0449 974 | 976 toluene dirsocyanate 6h 9c 2n 2o -855 0 975 | 977 tp-4040 52c 108h 17o -1089 .0361 976 | 978 trans-dimethyl-azotetrazole 4c 6h 10n 975 0 977 | 979 triacetin 14h 9c 6o -1334 .0419 978 | 980 triaminoguanidine 8h 1c 6n 553 .0564 979 | 981 triaminoguanidine (tag) 1c 8h 6n 553 .0563 980 | 982 triaminoguanidine nitrate tagn 1c 9h 7n 3o -69 .0555 981 | 983 triaminoguanidinecyanoformate 5c 9h 9n 603 .0516 982 | 984 triaminoguanidinedicyanamide 3c 9h 9n 591 .0505 983 | 985 triaminoguanidinium azide(taz) 1c 9h 9n 718 .0520 984 | 986 triaminoguanidinium decaborohy 1c 26h 10b 8n 120 0 985 | 987 triaminoguanidinium nonaborohy 1c 23h 9b 6n 131 0 986 | 988 triaminoguanidinium triborohyd 1c 17h 3b 6n 329 0 987 | 989 triaminomelamine 9h 3c 9n 550 .0589 988 | 990 triazoethanol'2 2c 5h 3n 1o 258 .0415 989 | 991 tributyrin 14c 26h 6o -1084 .0373 990 | 992 tricalcium phosphate 8o 3ca 2p -3156 0 991 | 993 tricyano'3'butene'1,1,1 7c 5h 3n 846 .0433 992 | 994 tricyano'3'butyne'1,1,1 7c 3h 3n 1128 .0433 993 | 995 tricyanoethane'1,1,1 5c 3h 3n 807 .0430 994 | 996 tricyanoethylene 5c 1h 3n 1019 .0433 995 | 997 tricyanotriazine's 6c 6n 1006 .0502 996 | 998 tricyclodecylinediamine 10c 18h 2n -173 .0390 997 | 999 triethyl citrate 12c 20h 7o -1291 0 998 | 1000 triethylamine 15h 6c 1n -667 0 999 | 1001 triethylamine 6c 15h 1n -400 0 1000 | 1002 triethylene glycol dinitrate 6c 12h 8o 2n -654 0 1001 | 1003 triethyleneglycoldinitrate 12h 6c 2n 8o -645 .0487 1002 | 1004 trifluoroamine oxide 3f 1n 1o -413 0 1003 | 1005 trifluoromethyl hypofluorite 1c 4f 1o -1733 0 1004 | 1006 trimethylamineborane 3c 12h 1b 1n -468 .0296 1005 | 1007 trimethylammonium nitrate 3c 10h 3o 2n -678 0 1006 | 1008 trimethylene alanf 3c 12h 1al 1n -285 0 1007 | 1009 trimethylolethanetrinitrate 9h 5c 3n 9o -397 .0557 1008 | 1010 trimethylolpropane 6c 14h 3o -1330 0 1009 | 1011 trinitro'3'hydroxybutanol 4c 7h 3n 8o -373 0 1010 | 1012 trinitrobromemethane 1c 6o 3n 1br -14 0 1011 | 1013 trinitrochloromethane 1c 6o 3n 1cl -30 0 1012 | 1014 trinitroethydnitroxyethylnitra 4c 6h 11o 6n -75 0 1013 | 1015 mine 0 1014 | 1016 trinitroethyl nitrate (tnen) 2c 2h 4n 9o -138 .0596 1015 | 1017 trinitroethylorthocarbonate 9c 8h 12n 28o -250 .0664 1016 | 1018 trinitrofluoromethane 1c 6o 3n 1f -311 0 1017 | 1019 trinitrohydroxybutyricacid 4c 5h 3n 9o -678 0 1018 | 1020 trinitromethane 1c 1h 6o 3n -108 0 1019 | 1021 trinitromethane (nitroform) 1c 1h 3n 6o -61 .0576 1020 | 1022 trinitrophenylmethylnitramine 7c 5h 5n 8o 16 0 1021 | 1023 tris(1-(2-ethyl)-aziridinyl) 21c 27h 3o 3n -154 0 1022 | 1024 benzene 0 1023 | 1025 tris(ammonia)decaborane(14) 10b 23h 3n -530 0 1024 | 1026 tris(difluoramino)propane 14h 9c 6n 3o 12f -411 .0556 1025 | 1027 tris(difluoroamino)butane 4c 7h 6f 3n -273 .0433 1026 | 1028 tris(difluoroamino)fluorometha 1c 7f 3n -248 0 1027 | 1029 trisdifluoroaminofluoromethan 1c 7f 3n -281 .0563 1028 | 1030 tungsten (pure crystaline) 1w .6969 1029 | 1031 tungsten carbonyl jax78/5168 1w 6c 6o -645 0 1030 | 1032 tungsten oxide 1w 3o -831 0 1031 | 1033 turpentine 16h 10c -118 .0298 1032 | 1034 unicel-100 5c 10h 2o 6n 500 .0546 1033 | 1035 unsym-difluorourea (udfu) 1c 2h 2f 2n 1o -705 0 1034 | 1036 unsym-dimethylhydrazine (udmh) 2c 8h 2n 198 .0283 1035 | 1037 uranium 1u .6751 1036 | 1038 uranium aluminum (alloy) 2al 1u -76 .2939 1037 | 1039 uranium aluminum (alloy) 3al 1u -105 .2461 1038 | 1040 uranium aluminum (alloy) 4al 1u -129 .2163 1039 | 1041 urea 1c 4h 1o 2n -1326 .0482 1040 | 1042 urea oxalate 4c 10h 6o 4n -1740 0 1041 | 1043 vanadium oxide 5o 2v -2488 .1212 1042 | 1044 vitel (diebold) 35h 28c 10o -1720 .0439 1043 | 1045 vitel 207 (lee) 35h 28c 10o -729 .2240 1044 | 1046 viton a 206h 274c 342f -1890 .0658 1045 | 1047 viton-teflon (1/3 mixture) 22h 100c 178f -1895 .0730 1046 | 1048 vitona 10c 7h 13f -1801 .0650 1047 | 1049 water 2h 1o -3792 .0361 1048 | 1050 witco f17-47 (jos) 10c 5o 16h -1310 .0430 1049 | 1051 xylidine 8c 11h 1n -144 0 1050 | 1052 yellow iron oxide 2h 4o 2fe 0 1051 | 1053 zinc 1zn .2578 1052 | 1054 zirconium 1zr .2311 1053 | 1055 zirconium boride 2b 1zr -634 .2199 1054 | 1056 zirconium carbide 1zr 1c -436 .2430 1055 | 1057 zirconium diboride 2b 1zr -680 .2200 1056 | 1058 zirconium hydride 2h 1zr -444 .2024 1057 | 1059 zl 320 606c 969h 22n 90o -579 .0373 1058 | 1060 1,1,1-trinitro-2-hydroxybutyri 4c 5h 9o 3n -684 0 1059 | 1061 c acid 0 1060 | 1062 1,1,1-trintro-4,4-bis(difluoro 5c 7h 6o 5n 4f -197 0 1061 | 1063 amion)pentane 0 1062 | 1064 1,1,1trinitro-2-hydroxybutanol 4c 7h 8o 3n -373 0 1063 | 1065 1,1-dimethyl hydrazine nitrate 2c 9h 3o 3n -470 0 1064 | 1066 1,2,4-butanetriol trinitrate 4c 7h 9o 3n -386 .0538 1065 | 1067 1,2-bis(difluoroamino)-2-methy 4c 8h 2n 4f -389 0 1066 | 1068 propane 0 1067 | 1069 1,2-bis(difluoroamino)butane 4c 8h 2n 4f -341 0 1068 | 1070 1,3,5-nitroxy-2-nitroamino-dia 4c 7h 5o 5n -156 0 1069 | 1071 zacyclohexene 0 1070 | 1072 1-difluoroamino-2,4,6-trinitro 6c 2h 6o 4n 2f 19 0 1071 | 1073 benzene 0 1072 | 1074 100der321/43deh14 810h 596c 22n 108o -661 0 1073 | 1075 1ea-5-85 (victor) 378h 243c 102n 86o 205f -5381.4630 1074 | 1076 2 nitro diphenyl amine 10h 12c 2o 2n 135 .0535 1075 | 1077 2 nitro diphenyl amine 10h 12c 2o 2n 135 .0535 1076 | 1078 2'tdmeclo4 (info 635p) 3c 7h 1cl 6f 4n 5o -345 .0650 1077 | 1079 2'tdmehcl (info 631c) 3c 7h 1cl 6f 4n 1o -448 .0650 1078 | 1080 2,2-4,4-6,6hexanitroazobenzene 12c 4h 12o 8n 135 0 1079 | 1081 2,2-dinitro-2-chloroethanol 2c 3h 5o 2n 1cl -348 0 1080 | 1082 2,3-butanediol 4c 10h 2o -1445 0 1081 | 1083 2,3difluoroamino-2methylbutane 5c 10h 2n 4f -336 0 1082 | 1084 2,4-dinitrophenoxy ethanol 8c 8h 6o 2n -418 0 1083 | 1085 2-fluoro-2,3-dinitroethanol 2c 3h 5o 2n 1f -741 0 1084 | 1086 2-hydroxy-4(2-hydroxy-3-methac 20c 20h 6o -722 0 1085 | 1087 rylyloxy)-propoxybenzophonone 0 1086 | 1088 2-methyl-5-vinyltetrazole 4c 6h 4n 586 0 1087 | 1089 2-methyl-5-vinyltetrazole 363c 541h 18o 341n 357 0 1088 | 1090 acrylic acid copolymer(15:1) 0 1089 | 1091 2-methyl-5-vinyltetrazole/hydr377c 580h 33o 311n 252 0 1090 | 1092 oxy-ethyl-methacrylate 0 1091 | 1093 ccpolymer (10:1) 0 1092 | 1094 222fluorodinitroethyl)acrylate 5c 5h 6o 2n 1f -668 0 1093 | 1095 2methyl5methoxyethyletetrazole358c 745h 57o 288n -166 0 1094 | 1096 2nitro-5-hydroxy-1,2,4triazole 2c 2h 3o 4n -238 0 1095 | 1097 3-difluoroamino-2,4,6-trinitro 7c 4h 6o 4n 2f -7 0 1096 | 1098 toluene 0 1097 | 1099 5-aminotetrazole nitrate 1c 4h 3o 6n 130 0 1098 | 1100 5-aminotetrazole perchlorate 1c 4h 4o 5n 1cl 204 0 1099 | 1101 5-nitrobarbitaric acid 176c 390h 320o 169n -1625 0 1100 | 1102 5hydroxyethyl11methyltetrazole 4c 8h 1o 4n 7 0 1101 | 1103 8c8h18f10n6o (fapemon) 8c 8h 18f 10n 6o -273 0 1102 | 1104 8c8h18f10n6o (fapemon) 8c 8h 18f 10n 6o -240 0 1103 | 1105 9c14h12f6n3o (tvopa) 9c 14h 12f 6n 3o -385 0 1104 | 1106 9c14h12f6n3o(tvopa) 9c 14h 12f 6n 3o -430 .0554 1105 | 1107 *********************************************************************** 1106 | 1108 * * 1107 | 1109 * these ingredients were added after 3-may-1983 * 1108 | 1110 * * 1109 | 1111 *********************************************************************** 1110 | 1112 bttn 4c 7h 3n 9o -386 .0549 1111 | 1113 dnnc 4c 6h 6n 8o -44 .0657 1112 | 1114 pga 10c 16h 5o -1200 .0430 1113 | 1115 dffefo (russ/may) 5c 4h 4n 10o 4f -773 .0603 1114 | 1116 gap (aerojet) (russ/may) 3c 5h 3n 1o 340 .0469 1115 | 1117 formal polymer (russ/may) 9c 14h 6n 12o -326 .0523 1116 | 1118 nc (13.45%n) (russ/may) 48c 58h 22n 84o -568 .0599 1117 | 1119 dox (russ/may) 5c 4h 4n 2f 10o -613 .0614 1118 | 1120 bdnpf/a (russ/may) 15c 26h 8n 20o -473 .0500 1119 | 1121 bamo (russ/may) 5c 8h 6n 1o 607 .0469 1120 | 1122 bman (russ/may) 4c 6h 4n 4o 23.4 .0570 1121 | 1123 brand a (russ/may) 12c 14h 8n 22o 2f -553 .0599 1122 | 1124 brand b (russ/may) 32c 56h 18n 51o -523 .0572 1123 | 1125 tegdn (russ/may) 6c 12h 2n 8o -645 .0487 1124 | 1126 ht/ctbn (o'neill) 271c 377h 20n 6o +176 .0347 1125 | 1127 malori blue 4h 1c 7n 2fe +394 .0665 1126 | 1128 hydroxylamine sulfate 8h 2n 6o 1s -1721 .0701 1127 | 1129 dimethyltriazanium nitrate 10h 2c 4n 3o -360 .0500 1128 | 1130 hydrazine sulfate 6h 2n 4o 1s -1780 .0495 1129 | 1131 dihydrazine sulfate 10h 4n 4o 1s -1382 .0400 1130 | 1132 water vapor, 79 deg. f 2h 1o -3210 0 1131 | 1133 titanium 1ti .1624 1132 | 1133 | 1134 | -------------------------------------------------------------------------------- /doc/RP-1311-P2.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PurdueH2Lab/MatlabCEA/0dcd1ffb7ae30a8092a625b3395e1e32659d1cae/doc/RP-1311-P2.pdf -------------------------------------------------------------------------------- /doc/RP-1311.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PurdueH2Lab/MatlabCEA/0dcd1ffb7ae30a8092a625b3395e1e32659d1cae/doc/RP-1311.pdf -------------------------------------------------------------------------------- /tests/Rocket_1.m: -------------------------------------------------------------------------------- 1 | function data = Rocket_1() 2 | 3 | % Set up an array of reactants using the CEA.Reactant class. 4 | reactants = [ ... 5 | CEA.Reactant('C3H8', ... 6 | 'Type','Fuel', ... 7 | 'E',DimVar(-10000,'J/mol'), ... 8 | 'T',DimVar(298,'K'), ... 9 | 'Q',DimVar(1,'kg')) ... 10 | CEA.Reactant('H2O2(L)', ... 11 | 'Type','ox', ... 12 | 'T',DimVar(298,'K'), ... 13 | 'Q',DimVar(0.9,'kg')) ... 14 | CEA.Reactant('H2O(L)', ... 15 | 'Type','ox', ... 16 | 'T',DimVar(298,'K'), ... 17 | 'Q',DimVar(0.1,'kg')) ... 18 | ]; 19 | 20 | 21 | % Specify the problem options and run CEA with the CEA.Run function 22 | data = CEA.Run(reactants, ... 23 | 'ProblemType','Rocket', ... 24 | 'Flow','eq', ... 25 | 'Pc',DimVar([500 600 700],'psi'), ... 26 | 'O/F',1, ... 27 | 'Outputs',{'isp','t'}); 28 | -------------------------------------------------------------------------------- /tests/Rocket_2.m: -------------------------------------------------------------------------------- 1 | function data = Rocket_2() 2 | 3 | reactants = [ ... 4 | CEA.Reactant('H2(L)', ... 5 | 'Type','Fuel', ... 6 | 'T',DimVar(20.27,'K'), ... 7 | 'Q',DimVar(1,'kg')) ... 8 | CEA.Reactant('O2(L)', ... 9 | 'Type','ox', ... 10 | 'T',DimVar(90.17,'K'), ... 11 | 'Q',DimVar(1,'kg')) ... 12 | ]; 13 | 14 | 15 | data = CEA.Run(reactants, ... 16 | 'ProblemType','Rocket', ... 17 | 'Flow','eq', ... 18 | 'Pc',DimVar(1,'bar'), ... 19 | 'OF',1, ... 20 | 'Outputs',{'isp'}); 21 | -------------------------------------------------------------------------------- /tests/Rocket_3.m: -------------------------------------------------------------------------------- 1 | function data = Rocket_5() 2 | 3 | reactants = [ ... 4 | CEA.Reactant('C3H8', ... 5 | 'Type','Fuel', ... 6 | 'E',DimVar(-10000,'J/mol'), ... 7 | 'T',DimVar(298,'K'), ... 8 | 'Q',DimVar(1,'kg')) ... 9 | CEA.Reactant('H2O2(L)', ... 10 | 'Type','ox', ... 11 | 'T',DimVar(298,'K'), ... 12 | 'Q',DimVar(0.9,'kg')) ... 13 | CEA.Reactant('H2O(L)', ... 14 | 'Type','ox', ... 15 | 'T',DimVar(298,'K'), ... 16 | 'Q',DimVar(0.1,'kg')) ... 17 | ]; 18 | 19 | 20 | data = CEA.Run(reactants, ... 21 | 'ProblemType','Rocket', ... 22 | 'Flow','eq', ... 23 | 'CombLength','fac', ... 24 | 'CR','5', ... 25 | 'Pc',DimVar(1,'bar'), ... 26 | 'OF',1, ... 27 | 'Outputs',{'t'}); 28 | -------------------------------------------------------------------------------- /tests/Rocket_4.m: -------------------------------------------------------------------------------- 1 | function data = Rocket_4() 2 | 3 | reactants = [ ... 4 | CEA.Reactant('C3H8', ... 5 | 'Type','Fuel', ... 6 | 'E',DimVar(-10000,'J/mol'), ... 7 | 'T',DimVar(27,'C'), ... 8 | 'Q',DimVar(1,'kg')) ... 9 | CEA.Reactant('H2O2(L)', ... 10 | 'Type','ox', ... 11 | 'T',DimVar(298,'K'), ... 12 | 'Q',DimVar(0.9,'kg')) ... 13 | CEA.Reactant('H2O(L)', ... 14 | 'Type','ox', ... 15 | 'T',DimVar(298,'K'), ... 16 | 'Q',DimVar(0.1,'kg')) ... 17 | ]; 18 | 19 | 20 | data = CEA.Run(reactants, ... 21 | 'ProblemType','Rocket', ... 22 | 'Flow','eq', ... 23 | 'CombLength','fac', ... 24 | 'CR',2, ... 25 | 'Pc',DimVar(500,'psi'), ... 26 | 'OF',1, ... 27 | 'Outputs',{'isp'}); 28 | 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