/** * * @file ConstDensityThermo.cpp * */ #ifdef WIN32 #pragma warning(disable:4786) #pragma warning(disable:4503) #endif #include "ct_defs.h" #include "mix_defs.h" #include "ConstDensityThermo.h" #include "SpeciesThermo.h" namespace Cantera { void ConstDensityThermo::getActivityConcentrations(doublereal* c) const { getConcentrations(c); } doublereal ConstDensityThermo::standardConcentration(int k) const { return molarDensity(); } doublereal ConstDensityThermo::logStandardConc(int k) const { return log(molarDensity()); } void ConstDensityThermo::getChemPotentials(doublereal* mu) const { doublereal vdp = (pressure() - m_spthermo->refPressure())/ molarDensity(); doublereal xx; doublereal rt = temperature() * GasConstant; const array_fp& g_RT = gibbs_RT(); for (int k = 0; k < m_kk; k++) { xx = fmaxx(SmallNumber, moleFraction(k)); mu[k] = rt*(g_RT[k] + log(xx)) + vdp; } } void ConstDensityThermo::getStandardChemPotentials(doublereal* mu0) const { getPureGibbs(mu0); } void ConstDensityThermo::initThermo() { m_kk = nSpecies(); m_mm = nElements(); doublereal tmin = m_spthermo->minTemp(); doublereal tmax = m_spthermo->maxTemp(); if (tmin > 0.0) m_tmin = tmin; if (tmax > 0.0) m_tmax = tmax; m_p0 = refPressure(); int leng = m_kk; m_h0_RT.resize(leng); m_g0_RT.resize(leng); m_expg0_RT.resize(leng); m_cp0_R.resize(leng); m_s0_R.resize(leng); m_pe.resize(leng, 0.0); m_pp.resize(leng); } /** * Set mixture to an equilibrium state consistent with specified * element potentials and temperature. * * @param lambda_RT vector of non-dimensional element potentials * \f[ \lambda_m/RT \f]. * @param t temperature in K. * @param work. Temporary work space. Must be dimensioned at least * as large as the number of species. * */ void ConstDensityThermo::setToEquilState(const doublereal* lambda_RT) { throw CanteraError("setToEquilState","not yet impl."); //const array_fp& grt = gibbs_RT(); // set the pressure and composition to be consistent with // the temperature, // doublereal pres = 0.0; // for (int k = 0; k < m_kk; k++) { // m_pp[k] = -grt[k]; // for (int m = 0; m < m_mm; m++) // m_pp[k] += phase().nAtoms(k,m)*lambda_RT[m]; // m_pp[k] = m_p0 * exp(m_pp[k]); // pres += m_pp[k]; // } // // set state // setState_PX(pres, m_pp.begin()); } void ConstDensityThermo::_updateThermo() const { doublereal tnow = temperature(); if (m_tlast != tnow) { m_spthermo->update(tnow, m_cp0_R.begin(), m_h0_RT.begin(), m_s0_R.begin()); m_tlast = tnow; // doublereal rrt = 1.0 / (GasConstant * tnow); int k; //doublereal deltaE; for (k = 0; k < m_kk; k++) { //deltaE = rrt * m_pe[k]; //m_h0_RT[k] += deltaE; m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k]; } m_tlast = tnow; } } void ConstDensityThermo::setParametersFromXML(const XML_Node& eosdata) { eosdata.require("model","Incompressible"); doublereal rho = getFloat(eosdata, "density", "-"); setDensity(rho); } }