119 lines
3.6 KiB
C++
119 lines
3.6 KiB
C++
/**
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* @file IMSTester.cpp
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*/
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/*
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* Copyright 2005 Sandia Corporation. Under the terms of Contract
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* DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
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* retains certain rights in this software.
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* See file License.txt for licensing information.
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*/
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// Example
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//
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// Read a mechanism and a thermodynamics file for the
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// class IdealMolalSoln in order to test that it's
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// working correctly
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#include "cantera/thermo/IdealMolalSoln.h"
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#include <iostream>
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#include <string>
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#include <vector>
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#include <cstdio>
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using namespace std;
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using namespace Cantera;
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int main(int argc, char** argv)
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{
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#ifdef _MSC_VER
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_set_output_format(_TWO_DIGIT_EXPONENT);
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#endif
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try {
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double Tkelvin = 298.15;
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IdealMolalSoln ims("WaterPlusSolutes.xml");
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ims.setState_TPM(Tkelvin, OneAtm,
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"CH4(aq):0.01, H2S(aq):0.03, CO2(aq):0.1");
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double hm = ims.enthalpy_mole();
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printf("molar enthalpy = %13.5g J kg-1\n", hm);
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double um = ims.intEnergy_mole();
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printf("molar intEnergy = %13.5g J kg-1\n", um);
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double sm = ims.entropy_mole();
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printf("molar entropy = %13.5g J kg-1 K-1\n", sm);
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double gm = ims.gibbs_mole();
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printf("molar gibbs = %13.5g J kg-1\n", gm);
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double cpm = ims.cp_mole();
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printf("molar Cp = %13.5g J kg-1 K-1\n", cpm);
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double dens = ims.density();
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printf("mixture density = %13.5g kg m-3\n", dens);
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double mdens = ims.molarDensity();
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printf("molar density = %13.5g kmol m-3\n", mdens);
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double mmw = ims.meanMolecularWeight();
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printf("mean molecular weight = %13.5g kg kmol-1\n", mmw);
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size_t n = ims.nSpecies();
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double HiSS[20], muiSS[20],SiSS[20], CpiSS[20], VoliSS[20];
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double RT = GasConstant * Tkelvin;
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ims.getStandardChemPotentials(muiSS);
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ims.getEnthalpy_RT(HiSS);
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ims.getEntropy_R(SiSS);
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ims.getCp_R(CpiSS);
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ims.getStandardVolumes(VoliSS);
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for (size_t i = 0; i < n; i++) {
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HiSS[i] *= RT;
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SiSS[i] *= RT;
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CpiSS[i] *= GasConstant;
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}
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printf(" Printout of standard state properties\n");
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printf(" Name mu_i H_i_SS "
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" S_i_SS Cp_i_SS Vol_i_SS\n");
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for (size_t i = 0; i < n; i++) {
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if (ims.moleFraction(i) < 1e-15) {
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continue;
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}
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string sn = ims.speciesName(i);
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printf(" %15s %12.5g %12.5g %12.5g %12.5g %12.5g\n", sn.c_str(), muiSS[i],
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HiSS[i], SiSS[i], CpiSS[i], VoliSS[i]);
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}
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double HiPM[20], mui[20],SiPM[20], CpiPM[20], VoliPM[20];
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ims.getChemPotentials(mui);
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ims.getPartialMolarEnthalpies(HiPM);
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ims.getPartialMolarEntropies(SiPM);
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ims.getPartialMolarCp(CpiPM);
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ims.getPartialMolarVolumes(VoliPM);
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printf(" Printout of Partial molar properties\n");
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printf(" Name mu_i H_i_PM "
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" S_i_PM Cp_i_PM Vol_i_PM\n");
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for (size_t i = 0; i < n; i++) {
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if (ims.moleFraction(i) < 1e-15) {
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continue;
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}
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string sn = ims.speciesName(i);
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printf(" %15s %12.5g %12.5g %12.5g %12.5g %12.5g\n", sn.c_str(), mui[i],
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HiPM[i], SiPM[i], CpiPM[i], VoliPM[i]);
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}
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} catch (CanteraError& err) {
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std::cout << err.what() << std::endl;
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return -1;
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}
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return 0;
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}
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/***********************************************************/
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