LCOV - code coverage report
Current view: top level - EnergyPlus - GeneratorFuelSupply.cc (source / functions) Hit Total Coverage
Test: lcov.output.filtered Lines: 392 426 92.0 %
Date: 2024-08-24 18:31:18 Functions: 2 2 100.0 %

          Line data    Source code
       1             : // EnergyPlus, Copyright (c) 1996-2024, The Board of Trustees of the University of Illinois,
       2             : // The Regents of the University of California, through Lawrence Berkeley National Laboratory
       3             : // (subject to receipt of any required approvals from the U.S. Dept. of Energy), Oak Ridge
       4             : // National Laboratory, managed by UT-Battelle, Alliance for Sustainable Energy, LLC, and other
       5             : // contributors. All rights reserved.
       6             : //
       7             : // NOTICE: This Software was developed under funding from the U.S. Department of Energy and the
       8             : // U.S. Government consequently retains certain rights. As such, the U.S. Government has been
       9             : // granted for itself and others acting on its behalf a paid-up, nonexclusive, irrevocable,
      10             : // worldwide license in the Software to reproduce, distribute copies to the public, prepare
      11             : // derivative works, and perform publicly and display publicly, and to permit others to do so.
      12             : //
      13             : // Redistribution and use in source and binary forms, with or without modification, are permitted
      14             : // provided that the following conditions are met:
      15             : //
      16             : // (1) Redistributions of source code must retain the above copyright notice, this list of
      17             : //     conditions and the following disclaimer.
      18             : //
      19             : // (2) Redistributions in binary form must reproduce the above copyright notice, this list of
      20             : //     conditions and the following disclaimer in the documentation and/or other materials
      21             : //     provided with the distribution.
      22             : //
      23             : // (3) Neither the name of the University of California, Lawrence Berkeley National Laboratory,
      24             : //     the University of Illinois, U.S. Dept. of Energy nor the names of its contributors may be
      25             : //     used to endorse or promote products derived from this software without specific prior
      26             : //     written permission.
      27             : //
      28             : // (4) Use of EnergyPlus(TM) Name. If Licensee (i) distributes the software in stand-alone form
      29             : //     without changes from the version obtained under this License, or (ii) Licensee makes a
      30             : //     reference solely to the software portion of its product, Licensee must refer to the
      31             : //     software as "EnergyPlus version X" software, where "X" is the version number Licensee
      32             : //     obtained under this License and may not use a different name for the software. Except as
      33             : //     specifically required in this Section (4), Licensee shall not use in a company name, a
      34             : //     product name, in advertising, publicity, or other promotional activities any name, trade
      35             : //     name, trademark, logo, or other designation of "EnergyPlus", "E+", "e+" or confusingly
      36             : //     similar designation, without the U.S. Department of Energy's prior written consent.
      37             : //
      38             : // THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR
      39             : // IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY
      40             : // AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR
      41             : // CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR
      42             : // CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
      43             : // SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
      44             : // THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
      45             : // OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
      46             : // POSSIBILITY OF SUCH DAMAGE.
      47             : 
      48             : // C++ Headers
      49             : #include <cmath>
      50             : #include <string>
      51             : 
      52             : // ObjexxFCL Headers
      53             : #include <ObjexxFCL/Array.functions.hh>
      54             : #include <ObjexxFCL/Array1D.hh>
      55             : 
      56             : // EnergyPlus Headers
      57             : #include <EnergyPlus/CurveManager.hh>
      58             : #include <EnergyPlus/Data/EnergyPlusData.hh>
      59             : #include <EnergyPlus/DataGenerators.hh>
      60             : #include <EnergyPlus/DataIPShortCuts.hh>
      61             : #include <EnergyPlus/DataLoopNode.hh>
      62             : #include <EnergyPlus/General.hh>
      63             : #include <EnergyPlus/GeneratorFuelSupply.hh>
      64             : #include <EnergyPlus/InputProcessing/InputProcessor.hh>
      65             : #include <EnergyPlus/NodeInputManager.hh>
      66             : #include <EnergyPlus/ScheduleManager.hh>
      67             : #include <EnergyPlus/UtilityRoutines.hh>
      68             : 
      69             : namespace EnergyPlus {
      70             : 
      71             : namespace GeneratorFuelSupply {
      72             : 
      73             :     //_______________________________________________
      74             :     // Utility modules used by other generators.
      75             :     //
      76             :     // GeneratorFuelSupply
      77             :     //   reused among some generators to define gaseous fuel chemistry, optional compressor)
      78             : 
      79             :     // Module containing the routines dealing with the fuel supply for some generators
      80             :     // different generator modules can reuse the same fuel supply code, hence a seperate module
      81             : 
      82             :     // MODULE INFORMATION:
      83             :     //       AUTHOR         B Griffith
      84             :     //       DATE WRITTEN   July 2006
      85             : 
      86             :     // METHODOLOGY EMPLOYED:
      87             :     // data defined in DataGenerators.cc
      88             :     // this module only provides input and subroutines for other component simulations
      89             :     //  no specific energyplus component is modeled here.  it is used by other generators
      90             : 
      91             :     // REFERENCES:
      92             :     // Annex 42 documentation
      93             : 
      94           4 :     void GetGeneratorFuelSupplyInput(EnergyPlusData &state)
      95             :     {
      96             : 
      97             :         // SUBROUTINE INFORMATION:
      98             :         //       AUTHOR         B Griffith
      99             :         //       DATE WRITTEN   July 2006,
     100             :         //       RE-ENGINEERED  this module extracted from older SOFC module for
     101             :         //                      reuse with both Annex 42 models,
     102             : 
     103             :         // SUBROUTINE LOCAL VARIABLE DECLARATIONS:
     104             :         //  INTEGER                     :: GeneratorNum !Generator counter
     105           4 :         Array1D_string AlphArray(25);  // character string data
     106           4 :         Array1D<Real64> NumArray(200); // numeric data TODO deal with allocatable for extensible
     107             : 
     108           4 :         if (state.dataGeneratorFuelSupply->MyOneTimeFlag) {
     109             :             int NumAlphas; // Number of elements in the alpha array
     110             :             int NumNums;   // Number of elements in the numeric array
     111             :             int IOStat;    // IO Status when calling get input subroutine
     112           3 :             bool ErrorsFound = false;
     113           3 :             std::string const cCurrentModuleObject = "Generator:FuelSupply";
     114           3 :             int NumGeneratorFuelSups = state.dataInputProcessing->inputProcessor->getNumObjectsFound(state, cCurrentModuleObject);
     115             : 
     116           3 :             if (NumGeneratorFuelSups <= 0) {
     117           0 :                 ShowSevereError(state, format("No {} equipment specified in input file", cCurrentModuleObject));
     118           0 :                 ErrorsFound = true;
     119             :             }
     120             : 
     121           3 :             state.dataGenerator->FuelSupply.allocate(NumGeneratorFuelSups);
     122             : 
     123           7 :             for (int FuelSupNum = 1; FuelSupNum <= NumGeneratorFuelSups; ++FuelSupNum) {
     124           8 :                 state.dataInputProcessing->inputProcessor->getObjectItem(state,
     125             :                                                                          cCurrentModuleObject,
     126             :                                                                          FuelSupNum,
     127             :                                                                          AlphArray,
     128             :                                                                          NumAlphas,
     129             :                                                                          NumArray,
     130             :                                                                          NumNums,
     131             :                                                                          IOStat,
     132             :                                                                          _,
     133             :                                                                          _,
     134           4 :                                                                          state.dataIPShortCut->cAlphaFieldNames,
     135           4 :                                                                          state.dataIPShortCut->cNumericFieldNames);
     136             : 
     137           4 :                 state.dataGenerator->FuelSupply(FuelSupNum).Name = AlphArray(1);
     138           4 :                 if (Util::SameString("TemperatureFromAirNode", AlphArray(2))) {
     139           4 :                     state.dataGenerator->FuelSupply(FuelSupNum).FuelTempMode = DataGenerators::FuelTemperatureMode::FuelInTempFromNode;
     140           0 :                 } else if (Util::SameString("Scheduled", AlphArray(2))) {
     141           0 :                     state.dataGenerator->FuelSupply(FuelSupNum).FuelTempMode = DataGenerators::FuelTemperatureMode::FuelInTempSchedule;
     142             :                 } else {
     143           0 :                     ShowSevereError(state, format("Invalid, {} = {}", state.dataIPShortCut->cAlphaFieldNames(2), AlphArray(2)));
     144           0 :                     ShowContinueError(state, format("Entered in {}={}", cCurrentModuleObject, AlphArray(1)));
     145           0 :                     ErrorsFound = true;
     146             :                 }
     147             : 
     148           4 :                 state.dataGenerator->FuelSupply(FuelSupNum).NodeName = AlphArray(3);
     149           4 :                 state.dataGenerator->FuelSupply(FuelSupNum).NodeNum =
     150           8 :                     NodeInputManager::GetOnlySingleNode(state,
     151           4 :                                                         AlphArray(3),
     152             :                                                         ErrorsFound,
     153             :                                                         DataLoopNode::ConnectionObjectType::GeneratorFuelSupply,
     154           4 :                                                         AlphArray(1),
     155             :                                                         DataLoopNode::NodeFluidType::Air,
     156             :                                                         DataLoopNode::ConnectionType::Sensor,
     157             :                                                         NodeInputManager::CompFluidStream::Primary,
     158             :                                                         DataLoopNode::ObjectIsNotParent);
     159             : 
     160           4 :                 state.dataGenerator->FuelSupply(FuelSupNum).SchedNum = ScheduleManager::GetScheduleIndex(state, AlphArray(4));
     161           8 :                 if ((state.dataGenerator->FuelSupply(FuelSupNum).SchedNum == 0) &&
     162           4 :                     (state.dataGenerator->FuelSupply(FuelSupNum).FuelTempMode == DataGenerators::FuelTemperatureMode::FuelInTempSchedule)) {
     163           0 :                     ShowSevereError(state, format("Invalid, {} = {}", state.dataIPShortCut->cAlphaFieldNames(4), AlphArray(4)));
     164           0 :                     ShowContinueError(state, format("Entered in {}={}", cCurrentModuleObject, AlphArray(1)));
     165           0 :                     ShowContinueError(state, "Schedule named was not found");
     166           0 :                     ErrorsFound = true;
     167             :                 }
     168             : 
     169           4 :                 state.dataGenerator->FuelSupply(FuelSupNum).CompPowerCurveID = Curve::GetCurveIndex(state, AlphArray(5));
     170           4 :                 if (state.dataGenerator->FuelSupply(FuelSupNum).CompPowerCurveID == 0) {
     171           0 :                     ShowSevereError(state, format("Invalid, {} = {}", state.dataIPShortCut->cAlphaFieldNames(5), AlphArray(5)));
     172           0 :                     ShowContinueError(state, format("Entered in {}={}", cCurrentModuleObject, AlphArray(1)));
     173           0 :                     ShowContinueError(state, "Curve named was not found ");
     174           0 :                     ErrorsFound = true;
     175             :                 }
     176             : 
     177          10 :                 for (auto &e : state.dataGenerator->FuelSupply)
     178           6 :                     e.CompPowerLossFactor = NumArray(1);
     179             : 
     180           4 :                 if (Util::SameString(AlphArray(6), "GaseousConstituents")) {
     181           4 :                     state.dataGenerator->FuelSupply(FuelSupNum).FuelTypeMode = DataGenerators::FuelMode::GaseousConstituents;
     182           0 :                 } else if (Util::SameString(AlphArray(6), "LiquidGeneric")) {
     183           0 :                     state.dataGenerator->FuelSupply(FuelSupNum).FuelTypeMode = DataGenerators::FuelMode::GenericLiquid;
     184             :                 } else {
     185           0 :                     ShowSevereError(state, format("Invalid, {} = {}", state.dataIPShortCut->cAlphaFieldNames(6), AlphArray(6)));
     186           0 :                     ShowContinueError(state, format("Entered in {}={}", cCurrentModuleObject, AlphArray(1)));
     187           0 :                     ErrorsFound = true;
     188             :                 }
     189             : 
     190           4 :                 state.dataGenerator->FuelSupply(FuelSupNum).LHVliquid = NumArray(2) * 1000.0; // generic liquid LHV  (kJ/kG input converted to J/kG )
     191           4 :                 state.dataGenerator->FuelSupply(FuelSupNum).HHV = NumArray(3) * 1000.0;       // generic liquid HHV (kJ/kG input converted to J/kG )
     192           4 :                 state.dataGenerator->FuelSupply(FuelSupNum).MW = NumArray(4);
     193           4 :                 state.dataGenerator->FuelSupply(FuelSupNum).eCO2 = NumArray(5);
     194             : 
     195           4 :                 if (state.dataGenerator->FuelSupply(FuelSupNum).FuelTypeMode == DataGenerators::FuelMode::GaseousConstituents) {
     196           4 :                     int NumFuelConstit = NumArray(6);
     197           4 :                     state.dataGenerator->FuelSupply(FuelSupNum).NumConstituents = NumFuelConstit;
     198             : 
     199           4 :                     if (NumFuelConstit > 12) {
     200           0 :                         ShowSevereError(state, format("{} model not set up for more than 12 fuel constituents", cCurrentModuleObject));
     201           0 :                         ErrorsFound = true;
     202             :                     }
     203           4 :                     if (NumFuelConstit < 1) {
     204           0 :                         ShowSevereError(state, format("{} model needs at least one fuel constituent", cCurrentModuleObject));
     205           0 :                         ErrorsFound = true;
     206             :                     }
     207             : 
     208          22 :                     for (int ConstitNum = 1; ConstitNum <= NumFuelConstit; ++ConstitNum) {
     209          18 :                         state.dataGenerator->FuelSupply(FuelSupNum).ConstitName(ConstitNum) = AlphArray(ConstitNum + 6);
     210          18 :                         state.dataGenerator->FuelSupply(FuelSupNum).ConstitMolalFract(ConstitNum) = NumArray(ConstitNum + 6);
     211             :                     }
     212             : 
     213             :                     // check for molar fractions summing to 1.0.
     214           4 :                     if (std::abs(sum(state.dataGenerator->FuelSupply(FuelSupNum).ConstitMolalFract) - 1.0) > 0.0001) {
     215           0 :                         ShowSevereError(state, format("{} molar fractions do not sum to 1.0", cCurrentModuleObject));
     216           0 :                         ShowContinueError(state, format("Sum was={:.5R}", sum(state.dataGenerator->FuelSupply(FuelSupNum).ConstitMolalFract)));
     217           0 :                         ShowContinueError(state, format("Entered in {} = {}", cCurrentModuleObject, AlphArray(1)));
     218           0 :                         ErrorsFound = true;
     219             :                     }
     220             :                 }
     221             :             }
     222             : 
     223             :             // now make calls to Setup
     224             : 
     225           7 :             for (int FuelSupNum = 1; FuelSupNum <= NumGeneratorFuelSups; ++FuelSupNum) {
     226           4 :                 SetupFuelConstituentData(state, FuelSupNum, ErrorsFound);
     227             :             }
     228             : 
     229           3 :             if (ErrorsFound) {
     230           0 :                 ShowFatalError(state, format("Problem found processing input for {}", cCurrentModuleObject));
     231             :             }
     232             : 
     233           3 :             state.dataGeneratorFuelSupply->MyOneTimeFlag = false;
     234           3 :         } // MyOneTimeFlag
     235           4 :     }
     236             : 
     237             :     //******************************************************************************
     238             : 
     239           7 :     void SetupFuelConstituentData(EnergyPlusData &state, int const FuelSupplyNum, bool &ErrorsFound)
     240             :     {
     241             : 
     242             :         // SUBROUTINE INFORMATION:
     243             :         //       AUTHOR         B Griffith
     244             :         //       DATE WRITTEN   Aug 2005,
     245             :         //       RE-ENGINEERED  July/Aug 2006, extracted to own module. added liquid fuel option
     246             : 
     247             :         // PURPOSE OF THIS SUBROUTINE:
     248             :         // Fill data structure for gas phase thermochemistry
     249             : 
     250             :         // METHODOLOGY EMPLOYED:
     251             :         // Hardcoded data from NIST is filled into data structure one time only
     252             : 
     253           7 :         int constexpr NumHardCodedConstituents = 14; // number of gases included in data
     254             : 
     255           7 :         if (!allocated(state.dataGenerator->GasPhaseThermoChemistryData)) {
     256           3 :             state.dataGenerator->GasPhaseThermoChemistryData.allocate(NumHardCodedConstituents);
     257             :         }
     258             :         // Carbon Dioxide (CO2) Temp K 298-1200 (Chase 1998)
     259           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).ConstituentName = "CarbonDioxide";
     260           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).ConstituentFormula = "CO2";
     261           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).StdRefMolarEnthOfForm = -393.5224; // KJ/mol
     262           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).ThermoMode = DataGenerators::ThermodynamicMode::NISTShomate;
     263           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).ShomateA = 24.99735;
     264           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).ShomateB = 55.18696;
     265           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).ShomateC = -33.69137;
     266           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).ShomateD = 7.948387;
     267           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).ShomateE = -0.136638;
     268           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).ShomateF = -403.6075;
     269           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).ShomateG = 228.2431;
     270           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).ShomateH = -393.5224;
     271           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).NumCarbons = 1.0;
     272           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).NumHydrogens = 0.0;
     273           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).NumOxygens = 2.0;
     274           7 :         state.dataGenerator->GasPhaseThermoChemistryData(1).MolecularWeight = 44.01;
     275             : 
     276             :         // Nitrogen (N2) Temp (K) 298-6000
     277           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).ConstituentName = "Nitrogen";
     278           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).ConstituentFormula = "N2";
     279           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).StdRefMolarEnthOfForm = 0.0;
     280           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).ThermoMode = DataGenerators::ThermodynamicMode::NISTShomate;
     281           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).ShomateA = 26.092;
     282           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).ShomateB = 8.218801;
     283           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).ShomateC = -1.976141;
     284           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).ShomateD = 0.159274;
     285           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).ShomateE = 0.044434;
     286           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).ShomateF = -7.98923;
     287           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).ShomateG = 221.02;
     288           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).ShomateH = 0.000;
     289           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).NumCarbons = 0.0;
     290           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).NumHydrogens = 0.0;
     291           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).NumOxygens = 0.0;
     292           7 :         state.dataGenerator->GasPhaseThermoChemistryData(2).MolecularWeight = 28.01;
     293             : 
     294             :         // Oxygen (O2) Temp (K) 298-6000
     295           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).ConstituentName = "Oxygen";
     296           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).ConstituentFormula = "O2";
     297           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).StdRefMolarEnthOfForm = 0.0;
     298           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).ThermoMode = DataGenerators::ThermodynamicMode::NISTShomate;
     299           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).ShomateA = 29.659;
     300           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).ShomateB = 6.137261;
     301           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).ShomateC = -1.186521;
     302           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).ShomateD = 0.095780;
     303           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).ShomateE = -0.219663;
     304           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).ShomateF = -9.861391;
     305           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).ShomateG = 237.948;
     306           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).ShomateH = 0.0;
     307           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).NumCarbons = 0.0;
     308           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).NumHydrogens = 0.0;
     309           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).NumOxygens = 2.0;
     310           7 :         state.dataGenerator->GasPhaseThermoChemistryData(3).MolecularWeight = 32.00;
     311             : 
     312             :         // Water (H2O) Temp K 300-1700
     313             :         // need lower temperature range for Shomate coef for Water Vapor..
     314           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).ConstituentName = "Water";
     315           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).ConstituentFormula = "H2O";
     316           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).StdRefMolarEnthOfForm = -241.8264; // KJ/mol
     317           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).ThermoMode = DataGenerators::ThermodynamicMode::NISTShomate;
     318           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).ShomateA = 29.0373;
     319           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).ShomateB = 10.2573;
     320           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).ShomateC = 2.81048;
     321           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).ShomateD = -0.95914;
     322           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).ShomateE = 0.11725;
     323           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).ShomateF = -250.569;
     324           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).ShomateG = 223.3967;
     325           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).ShomateH = -241.8264;
     326           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).NumCarbons = 0.0;
     327           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).NumHydrogens = 2.0;
     328           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).NumOxygens = 1.0;
     329           7 :         state.dataGenerator->GasPhaseThermoChemistryData(4).MolecularWeight = 18.02;
     330             : 
     331             :         // Argon (Ar)  Temp K 298-600
     332             : 
     333           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).ConstituentName = "Argon";
     334           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).ConstituentFormula = "Ar";
     335           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).StdRefMolarEnthOfForm = 0.0;
     336           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).ThermoMode = DataGenerators::ThermodynamicMode::NISTShomate;
     337           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).ShomateA = 20.786;
     338           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).ShomateB = 2.825911e-07;
     339           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).ShomateC = -1.464191e-07;
     340           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).ShomateD = 1.092131e-08;
     341           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).ShomateE = -3.661371e-08;
     342           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).ShomateF = -6.19735;
     343           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).ShomateG = 179.999;
     344           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).ShomateH = 0.0;
     345           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).NumCarbons = 0.0;
     346           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).NumHydrogens = 0.0;
     347           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).NumOxygens = 0.0;
     348           7 :         state.dataGenerator->GasPhaseThermoChemistryData(5).MolecularWeight = 39.95;
     349             : 
     350             :         // Hydrogen (H2) Temp K 298-1000
     351           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).ConstituentName = "Hydrogen";
     352           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).ConstituentFormula = "H2";
     353           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).StdRefMolarEnthOfForm = 0.0;
     354           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).ThermoMode = DataGenerators::ThermodynamicMode::NISTShomate;
     355           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).ShomateA = 33.066178;
     356           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).ShomateB = -11.363417;
     357           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).ShomateC = 11.432816;
     358           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).ShomateD = -2.772874;
     359           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).ShomateE = -0.158558;
     360           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).ShomateF = -9.980797;
     361           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).ShomateG = 172.707974;
     362           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).ShomateH = 0.0;
     363           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).NumCarbons = 0.0;
     364           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).NumHydrogens = 2.0;
     365           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).NumOxygens = 0.0;
     366           7 :         state.dataGenerator->GasPhaseThermoChemistryData(6).MolecularWeight = 2.02;
     367             : 
     368             :         // Methane (CH4) Temp K 298-1300
     369           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).ConstituentName = "Methane";
     370           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).ConstituentFormula = "CH4";
     371           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).StdRefMolarEnthOfForm = -74.8731; // KJ/mol (Chase 1998)
     372           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).ThermoMode = DataGenerators::ThermodynamicMode::NISTShomate;
     373           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).ShomateA = -0.703029;
     374           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).ShomateB = 108.4773;
     375           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).ShomateC = -42.52157;
     376           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).ShomateD = 5.862788;
     377           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).ShomateE = 0.678565;
     378           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).ShomateF = -76.84376;
     379           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).ShomateG = 158.7163;
     380           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).ShomateH = -74.87310;
     381           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).NumCarbons = 1.0;
     382           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).NumHydrogens = 4.0;
     383           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).NumOxygens = 0.0;
     384           7 :         state.dataGenerator->GasPhaseThermoChemistryData(7).MolecularWeight = 16.04;
     385             : 
     386             :         // Ethane (C2H6)
     387           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).ConstituentName = "Ethane";
     388           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).ConstituentFormula = "C2H6";
     389           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).StdRefMolarEnthOfForm = -83.8605; // -83.8 !KJ/mol (Pittam and Pilcher 1972)
     390           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).ThermoMode = DataGenerators::ThermodynamicMode::NISTShomate;
     391           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).ShomateA = -3.03849;
     392           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).ShomateB = 199.202;
     393           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).ShomateC = -84.9812;
     394           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).ShomateD = 11.0348;
     395           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).ShomateE = 0.30348;
     396           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).ShomateF = -90.0633;
     397           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).ShomateG = -999.0;
     398           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).ShomateH = -83.8605;
     399           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).NumCarbons = 2.0;
     400           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).NumHydrogens = 6.0;
     401           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).NumOxygens = 0.0;
     402           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).MolecularWeight = 30.07;
     403           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).NASA_A1 = 0.14625388e+01;
     404           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).NASA_A2 = 0.15494667e-01;
     405           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).NASA_A3 = 0.05780507e-04;
     406           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).NASA_A4 = -0.12578319e-07;
     407           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).NASA_A5 = 0.04586267e-10;
     408           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).NASA_A6 = -0.11239176e+05;
     409           7 :         state.dataGenerator->GasPhaseThermoChemistryData(8).NASA_A7 = 0.14432295e+02;
     410             : 
     411             :         // Propane (C3H8)
     412           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).ConstituentName = "Propane";
     413           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).ConstituentFormula = "C3H8";
     414           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).StdRefMolarEnthOfForm = -103.855; //  -104.7 !kJ/mol  (Pittam and Pilcher 1972)
     415           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).ThermoMode = DataGenerators::ThermodynamicMode::NISTShomate;
     416           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).ShomateA = -23.1747;
     417           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).ShomateB = 363.742;
     418           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).ShomateC = -222.981;
     419           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).ShomateD = 56.253;
     420           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).ShomateE = 0.61164;
     421           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).ShomateF = -109.206;
     422           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).ShomateG = -999.0;
     423           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).ShomateH = -103.855;
     424           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).NumCarbons = 3.0;
     425           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).NumHydrogens = 8.0;
     426           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).NumOxygens = 0.0;
     427           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).MolecularWeight = 44.10;
     428           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).NASA_A1 = 0.08969208e+01;
     429           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).NASA_A2 = 0.02668986e+00;
     430           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).NASA_A3 = 0.05431425e-04;
     431           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).NASA_A4 = -0.02126000e-06;
     432           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).NASA_A5 = 0.09243330e-10;
     433           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).NASA_A6 = -0.13954918e+05;
     434           7 :         state.dataGenerator->GasPhaseThermoChemistryData(9).NASA_A7 = 0.01935533e+03;
     435             : 
     436             :         // Butane (C4H10)
     437           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).ConstituentName = "Butane";
     438           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).ConstituentFormula = "C4H10";
     439           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).StdRefMolarEnthOfForm = -133.218; // -125.6 !kJ/mol  (Pittam and Pilcher 1972)
     440           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).ThermoMode = DataGenerators::ThermodynamicMode::NISTShomate;
     441           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).ShomateA = -5.24343;
     442           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).ShomateB = 426.442;
     443           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).ShomateC = -257.955;
     444           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).ShomateD = 66.535;
     445           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).ShomateE = -0.26994;
     446           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).ShomateF = -149.365;
     447           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).ShomateG = -999.0;
     448           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).ShomateH = -133.218;
     449           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).NumCarbons = 4.0;
     450           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).NumHydrogens = 10.0;
     451           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).NumOxygens = 0.0;
     452           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).MolecularWeight = 58.12;
     453           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).NASA_A1 = -0.02256618e+02;
     454           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).NASA_A2 = 0.05881732e+00;
     455           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).NASA_A3 = -0.04525782e-03;
     456           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).NASA_A4 = 0.02037115e-06;
     457           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).NASA_A5 = -0.04079458e-10;
     458           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).NASA_A6 = -0.01760233e+06;
     459           7 :         state.dataGenerator->GasPhaseThermoChemistryData(10).NASA_A7 = 0.03329595e+03;
     460             : 
     461             :         // Pentane (C5H12)
     462           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).ConstituentName = "Pentane";
     463           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).ConstituentFormula = "C5H12";
     464           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).StdRefMolarEnthOfForm = -146.348; // -146.8 !kJ/mol (Good 1970)
     465           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).ThermoMode = DataGenerators::ThermodynamicMode::NISTShomate;
     466           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).ShomateA = -34.9431;
     467           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).ShomateB = 576.777;
     468           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).ShomateC = -338.353;
     469           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).ShomateD = 76.8232;
     470           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).ShomateE = 1.00948;
     471           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).ShomateF = -155.348;
     472           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).ShomateG = -999.0;
     473           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).ShomateH = -146.348;
     474           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).NumCarbons = 5.0;
     475           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).NumHydrogens = 12.0;
     476           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).NumOxygens = 0.0;
     477           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).MolecularWeight = 72.15;
     478           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).NASA_A1 = 0.01877907e+02;
     479           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).NASA_A2 = 0.04121645e+00;
     480           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).NASA_A3 = 0.12532337e-04;
     481           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).NASA_A4 = -0.03701536e-06;
     482           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).NASA_A5 = 0.15255685e-10;
     483           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).NASA_A6 = -0.02003815e+06;
     484           7 :         state.dataGenerator->GasPhaseThermoChemistryData(11).NASA_A7 = 0.01877256e+03;
     485             : 
     486             :         // Hexane  (C6H14)
     487           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).ConstituentName = "Hexane";
     488           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).ConstituentFormula = "C6H14";
     489           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).StdRefMolarEnthOfForm = -166.966; // -167.2 !kJ/mol (Prosen and Rossini 1945)
     490           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).ThermoMode = DataGenerators::ThermodynamicMode::NISTShomate;
     491           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).ShomateA = -46.7786;
     492           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).ShomateB = 711.187;
     493           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).ShomateC = -438.39;
     494           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).ShomateD = 103.784;
     495           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).ShomateE = 1.23887;
     496           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).ShomateF = -176.813;
     497           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).ShomateG = -999.0;
     498           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).ShomateH = -166.966;
     499           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).NumCarbons = 6.0;
     500           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).NumHydrogens = 14.0;
     501           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).NumOxygens = 0.0;
     502           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).MolecularWeight = 86.18;
     503           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).NASA_A1 = 0.01836174e+02;
     504           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).NASA_A2 = 0.05098461e+00;
     505           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).NASA_A3 = 0.12595857e-04;
     506           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).NASA_A4 = -0.04428362e-06;
     507           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).NASA_A5 = 0.01872237e-09;
     508           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).NASA_A6 = -0.02292749e+06;
     509           7 :         state.dataGenerator->GasPhaseThermoChemistryData(12).NASA_A7 = 0.02088145e+03;
     510             : 
     511             :         // Methanol (CH3OH)
     512             :         // No Shomate coefficients???
     513           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).ConstituentName = "Methanol";
     514           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).ConstituentFormula = "CH3OH";
     515           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).StdRefMolarEnthOfForm = -201.102; // -201.0 !kJ/mol (Hine and Arata 1976)
     516           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).ThermoMode = DataGenerators::ThermodynamicMode::NISTShomate;
     517           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).ShomateA = 14.1952;
     518           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).ShomateB = 97.7218;
     519           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).ShomateC = -9.73279;
     520           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).ShomateD = -12.8461;
     521           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).ShomateE = 0.15819;
     522           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).ShomateF = -209.037;
     523           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).ShomateG = -999.0;
     524           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).ShomateH = -201.102;
     525           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).NumCarbons = 1.0;
     526           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).NumHydrogens = 4.0;
     527           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).NumOxygens = 1.0;
     528           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).MolecularWeight = 32.04;
     529           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).NASA_A1 = 0.02660115e+02;
     530           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).NASA_A2 = 0.07341508e-01;
     531           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).NASA_A3 = 0.07170050e-04;
     532           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).NASA_A4 = -0.08793194e-07;
     533           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).NASA_A5 = 0.02390570e-10;
     534           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).NASA_A6 = -0.02535348e+06;
     535           7 :         state.dataGenerator->GasPhaseThermoChemistryData(13).NASA_A7 = 0.11232631e+02;
     536             : 
     537             :         // Ethanol (C2H5OH)
     538             :         // No Shomate coefficients???
     539           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).ConstituentName = "Ethanol";
     540           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).ConstituentFormula = "C2H5OH";
     541           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).StdRefMolarEnthOfForm = -234.441; //  -235.3 !kJ/mol (Green 1960)
     542           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).ThermoMode = DataGenerators::ThermodynamicMode::NISTShomate;
     543           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).ShomateA = -8.87256;
     544           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).ShomateB = 282.389;
     545           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).ShomateC = -178.85;
     546           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).ShomateD = 46.3528;
     547           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).ShomateE = 0.48364;
     548           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).ShomateF = -241.239;
     549           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).ShomateG = -999.0;
     550           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).ShomateH = -234.441;
     551           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).NumCarbons = 2.0;
     552           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).NumHydrogens = 6.0;
     553           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).NumOxygens = 1.0;
     554           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).MolecularWeight = 46.07;
     555           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).NASA_A1 = 0.18461027e+01;
     556           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).NASA_A2 = 0.20475008e-01;
     557           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).NASA_A3 = 0.39904089e-05;
     558           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).NASA_A4 = -0.16585986e-07;
     559           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).NASA_A5 = 0.73090440e-11;
     560           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).NASA_A6 = -0.29663086e+05;
     561           7 :         state.dataGenerator->GasPhaseThermoChemistryData(14).NASA_A7 = 0.17289993e+02;
     562             : 
     563           7 :         if (state.dataGenerator->FuelSupply(FuelSupplyNum).FuelTypeMode == DataGenerators::FuelMode::GaseousConstituents) {
     564             :             // now calculate LHV of fuel for entire simulation
     565             : 
     566             :             // sum over each constituent
     567           7 :             Real64 O2Stoic = 0.0;      // stochiometric oxygen coef in chemical equation (15)
     568           7 :             Real64 CO2ProdStoic = 0.0; // product gases carbon dioxide coeff
     569           7 :             Real64 H2OProdStoic = 0.0; // product gases water coeff
     570           7 :             int CO2dataID = 1;         // hard-coded above
     571           7 :             int WaterDataID = 4;       // hard-coded above
     572             :             // Loop over fuel constituents and do one-time setup
     573          42 :             for (int i = 1; i <= state.dataGenerator->FuelSupply(FuelSupplyNum).NumConstituents; ++i) {
     574             : 
     575          35 :                 std::string const &thisName = state.dataGenerator->FuelSupply(FuelSupplyNum).ConstitName(i);
     576          35 :                 int thisGasID = Util::FindItem(
     577          35 :                     thisName, state.dataGenerator->GasPhaseThermoChemistryData, &DataGenerators::GasPropertyDataStruct::ConstituentName);
     578          35 :                 state.dataGenerator->FuelSupply(FuelSupplyNum).GasLibID(i) = thisGasID;
     579             : 
     580          35 :                 if (thisGasID == 0) {
     581           0 :                     ShowSevereError(state, format("Fuel constituent not found in thermochemistry data: {}", thisName));
     582           0 :                     ErrorsFound = true;
     583             :                 }
     584             : 
     585             :                 // for this fuel mixture, figure stoichiometric oxygen requirement
     586          35 :                 O2Stoic += state.dataGenerator->FuelSupply(FuelSupplyNum).ConstitMolalFract(i) *
     587          35 :                            (state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).NumCarbons +
     588          35 :                             state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).NumHydrogens / 4.0 -
     589          35 :                             state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).NumOxygens / 2.0);
     590             :                 // for this fuel mixture, figure stoichiometric Carbon Dioxide in Product Gases
     591             : 
     592          35 :                 CO2ProdStoic += state.dataGenerator->FuelSupply(FuelSupplyNum).ConstitMolalFract(i) *
     593          35 :                                 state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).NumCarbons;
     594             : 
     595          35 :                 H2OProdStoic += state.dataGenerator->FuelSupply(FuelSupplyNum).ConstitMolalFract(i) *
     596          35 :                                 state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).NumHydrogens / 2.0;
     597             :             }
     598             : 
     599           7 :             state.dataGenerator->FuelSupply(FuelSupplyNum).StoicOxygenRate = O2Stoic;
     600           7 :             state.dataGenerator->FuelSupply(FuelSupplyNum).CO2ProductGasCoef = CO2ProdStoic;
     601           7 :             state.dataGenerator->FuelSupply(FuelSupplyNum).H2OProductGasCoef = H2OProdStoic;
     602             : 
     603             :             // Calculate LHV for an NdotFuel of 1.0
     604           7 :             Real64 LHVfuel = 0.0;
     605             :             Real64 LHVi; // working var for lower heating value calc
     606          42 :             for (int i = 1; i <= state.dataGenerator->FuelSupply(FuelSupplyNum).NumConstituents; ++i) {
     607          35 :                 int thisGasID = state.dataGenerator->FuelSupply(FuelSupplyNum).GasLibID(i);
     608          35 :                 if (state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).NumHydrogens == 0.0) {
     609          12 :                     LHVi = 0.0;
     610             :                 } else {
     611          23 :                     LHVi = state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).StdRefMolarEnthOfForm -
     612          23 :                            state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).NumCarbons *
     613          23 :                                state.dataGenerator->GasPhaseThermoChemistryData(CO2dataID).StdRefMolarEnthOfForm -
     614          23 :                            (state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).NumHydrogens / 2.0) *
     615          23 :                                state.dataGenerator->GasPhaseThermoChemistryData(WaterDataID).StdRefMolarEnthOfForm;
     616             :                 }
     617          35 :                 LHVfuel += LHVi * state.dataGenerator->FuelSupply(FuelSupplyNum).ConstitMolalFract(i);
     618             :             }
     619           7 :             state.dataGenerator->FuelSupply(FuelSupplyNum).LHV = LHVfuel;
     620             : 
     621             :             // Calculate HHV for an NdotFuel of 1.0
     622           7 :             Real64 HHVfuel = 0.0;
     623             :             Real64 HHVi; // working var for higher heating value calc
     624          42 :             for (int i = 1; i <= state.dataGenerator->FuelSupply(FuelSupplyNum).NumConstituents; ++i) {
     625          35 :                 int thisGasID = state.dataGenerator->FuelSupply(FuelSupplyNum).GasLibID(i);
     626          35 :                 if (state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).NumHydrogens == 0.0) {
     627          12 :                     HHVi = 0.0;
     628             :                 } else {
     629          23 :                     HHVi = state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).StdRefMolarEnthOfForm -
     630          23 :                            state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).NumCarbons *
     631          23 :                                state.dataGenerator->GasPhaseThermoChemistryData(CO2dataID).StdRefMolarEnthOfForm -
     632          23 :                            (state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).NumHydrogens / 2.0) *
     633          23 :                                state.dataGenerator->GasPhaseThermoChemistryData(WaterDataID).StdRefMolarEnthOfForm +
     634          23 :                            (state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).NumHydrogens / 2.0) *
     635          23 :                                (state.dataGenerator->GasPhaseThermoChemistryData(WaterDataID).StdRefMolarEnthOfForm + 285.8304);
     636             :                 }
     637          35 :                 HHVfuel += HHVi * state.dataGenerator->FuelSupply(FuelSupplyNum).ConstitMolalFract(i);
     638             :             }
     639             : 
     640             :             // Calculate Molecular Weight for this fuel
     641           7 :             Real64 MWfuel = 0.0;
     642          42 :             for (int i = 1; i <= state.dataGenerator->FuelSupply(FuelSupplyNum).NumConstituents; ++i) {
     643          35 :                 int thisGasID = state.dataGenerator->FuelSupply(FuelSupplyNum).GasLibID(i);
     644          35 :                 MWfuel += state.dataGenerator->FuelSupply(FuelSupplyNum).ConstitMolalFract(i) *
     645          35 :                           state.dataGenerator->GasPhaseThermoChemistryData(thisGasID).MolecularWeight;
     646             :             }
     647           7 :             state.dataGenerator->FuelSupply(FuelSupplyNum).MW = MWfuel;
     648           7 :             state.dataGenerator->FuelSupply(FuelSupplyNum).KmolPerSecToKgPerSec = MWfuel;      // TODO check this, guessing on conversion...
     649           7 :             state.dataGenerator->FuelSupply(FuelSupplyNum).HHV = 1000000.0 * HHVfuel / MWfuel; // (1000/k) (1000/k) (kJ/mol)/(g/mol) = J/kg
     650           7 :             state.dataGenerator->FuelSupply(FuelSupplyNum).LHVJperkg =
     651           7 :                 state.dataGenerator->FuelSupply(FuelSupplyNum).LHV * 1000000.0 / state.dataGenerator->FuelSupply(FuelSupplyNum).MW;
     652             : 
     653           0 :         } else if (state.dataGenerator->FuelSupply(FuelSupplyNum).FuelTypeMode == DataGenerators::FuelMode::GenericLiquid) {
     654           0 :             state.dataGenerator->FuelSupply(FuelSupplyNum).LHV = state.dataGenerator->FuelSupply(FuelSupplyNum).LHVliquid *
     655           0 :                                                                  state.dataGenerator->FuelSupply(FuelSupplyNum).MW /
     656             :                                                                  1000000.0; // J/kg * g/mol (k/1000) (k/10000)
     657             : 
     658             :         } else {
     659             :         }
     660             : 
     661             :         // report Heating Values in EIO.
     662           7 :         print(state.files.eio,
     663             :               "! <Fuel Supply>, Fuel Supply Name, Lower Heating Value [J/kmol], Lower Heating Value [kJ/kg], Higher "
     664             :               "Heating Value [KJ/kg],  Molecular Weight [g/mol] \n");
     665             :         static constexpr std::string_view Format_501(" Fuel Supply, {},{:13.6N},{:13.6N},{:13.6N},{:13.6N}\n");
     666           7 :         print(state.files.eio,
     667             :               Format_501,
     668           7 :               state.dataGenerator->FuelSupply(FuelSupplyNum).Name,
     669           7 :               state.dataGenerator->FuelSupply(FuelSupplyNum).LHV * 1000000.0,
     670           7 :               state.dataGenerator->FuelSupply(FuelSupplyNum).LHVJperkg / 1000.0,
     671           7 :               state.dataGenerator->FuelSupply(FuelSupplyNum).HHV / 1000.0,
     672           7 :               state.dataGenerator->FuelSupply(FuelSupplyNum).MW);
     673           7 :     }
     674             : 
     675             : } // namespace GeneratorFuelSupply
     676             : 
     677             : } // namespace EnergyPlus

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