//! @file Water.cpp #include "Water.h" #include "cantera/base/stringUtils.h" using namespace Cantera; namespace tpx { static const double Tmn=273.16; static const double Tmx=1600.0; static const double M=18.016; static const double Tc=647.286; static const double Pc=22.089e6; static const double Roc=317.0; static const double To=273.16; static const double R=461.51; static const double E=4.8E-3; static const double Ta=1000.0; static const double tauc=1.544912; static const double Tp=338.15; static const double aww=0.01; static const double Roa1=634.0; static const double Roaj=1000.0; static const double u0=2375470.875; static const double s0=6697.356635; static const double A[10][7]= {{ 2.9492937E-2,-5.1985860E-3, 6.8335354E-3,-1.5641040E-4, -6.3972405E-3, -3.9661401E-3, -6.9048554E-4 }, { -1.3213917E-4,7.7779182E-6, -2.6149751E-5,-7.2546108E-7, 2.6409282E-5, 1.5453061E-5,2.7407416E-6 }, { 2.7464632E-7,-3.3301902E-8,6.5326396E-8,-9.2734289E-9, -4.7740374E-8,-2.9142470E-8,-5.1028070E-9 }, { -3.6093828E-10, -1.6254622E-11, -2.6181978E-11, 4.3125840E-12, 5.6323130E-11, 2.9568796E-11,3.9636085E-12 }, {3.4218431E-13, -1.7731074E-13,0,0,0,0,0}, {-2.4450042E-16, 1.2748742E-16,0,0,0,0,0}, {1.5518535E-19, 1.3746153E-19,0,0,0,0,0}, {5.9728487E-24,1.5597836E-22, 0,0,0,0,0}, { -4.1030848E-1, 3.3731180E-1, -1.3746678E-1, 6.7874983E-3, 1.3687317E-1, 7.984797E-2, 1.3041253E-2 }, { -4.1605860E-4, -2.0988866E-4,-7.3396848E-4,1.0401717E-5, 6.4581880E-4, 3.9917570E-4, 7.1531353E-5 } }; static const double F[]= {-7.4192420, 2.9721E-1,-1.155286E-1,8.685635E-3, 1.0940980E-3, -4.39993E-3, 2.5206580E-3, -5.2186840E-4 }; static const double D[]= {3.6711257,-2.8512396E1,2.2265240E2,-8.8243852E2, 2.0002765E3,-2.6122557E3,1.8297674E3,-5.3350520E2 }; static const double G[]= {4.6E4,1.011249E3,8.3893E-1,-2.19989E-4,2.466619E-7, -9.704700E-11 }; static const double taua[] = {1.544912, 2.5, 2.5, 2.5, 2.5, 2.5, 2.5}; inline double water::C(int i) { double tau = Ta/T; return (i == 0 ? R*T : R*T*(tau - tauc)*pow(tau - taua[i],i-1)); } inline double water::Cprime(int i) { double tau = Ta/T; return (i == 0 ? R : (i == 1 ? -R*tauc : -R*pow(tau - taua[i],i-2)*(tauc*(tau - taua[i]) + (i-1)*tau*(tau - tauc)))); } inline double water::I(int j) { double factor, sum, rho_aj; rho_aj = (j == 0 ? Roa1 : Roaj); sum = 0.0; factor = Rho - rho_aj; for (int i=7; i>0; i--) { sum += A[i][j]; sum *= factor; } sum += A[0][j]; sum += (exp(-E*Rho)*(A[8][j] + A[9][j]*Rho)); return Rho*sum; } inline double water::H(int j) { double factor, sum, rho_aj; rho_aj = (j == 0 ? Roa1 : Roaj); sum = 0.0; factor = Rho - rho_aj; for (int i=6; i>0; i--) { sum += (A[i][j] + Rho*(i+1)*A[i+1][j]); sum *= factor; } sum += (A[0][j] + Rho*A[1][j]); sum += (exp(-E*Rho)*((1.0 - Rho*E)*A[8][j] + Rho*(2.0 - Rho*E)*A[9][j])); sum += A[7][j]*pow(factor,7); return Rho*Rho*sum; } double water::up() { double sum = 0.0; int i; for (i=0; i<7; i++) { sum += (C(i) - T*Cprime(i))*I(i); } for (i=1; i<6; i++) { sum += G[i]*(pow(T,i) - pow(To,i))/double(i); } sum += G[0]*log(T/To) + u0; return sum + m_energy_offset; } double water::sp() { double sum = 0.0; int i; for (i=2; i<6; i++) { sum += G[i]*(pow(T,i-1) - pow(To,i-1))/double(i-1); } sum += G[1]*log(T/To); sum -= G[0]*(1.0/T - 1.0/To); sum += s0 - R*log(Rho); for (i=0; i<7; i++) { sum -= Cprime(i)*I(i); } return sum + m_entropy_offset; } double water::Pp() { double P = Rho*R*T; for (int i=0; i<7; i++) { P += C(i)*H(i); } return P; } double water::Psat() { double log, sum=0; if ((T < Tmn) || (T > Tc)) { throw TPX_Error("water::Psat", "Temperature out of range. T = " + fp2str(T)); } for (int i=1; i<=8; i++) { sum += F[i-1]*pow(aww*(T-Tp),double(i-1)); // DGG mod } log = (Tc/T-1)*sum; return exp(log)*Pc; } /* double water::dPsatdT(){ double log, sum1=0, sum2=0; int i; if ((T < Tmn) || (T > Tc)) set_Err(TempError); // Error("water::dPsatdT",TempError,T); for (i=1;i<=8;i++) sum1 += F[i-1]*pow(a*(T-Tp),double(i-1)); for (i=2;i<=8;i++) sum2 += F[i-1]*a*(i-1)*pow(a*(T-Tp),double(i-2)); log = (Tc/T-1)*sum2 - Tc*sum1/(T*T); return log*Psat(); } */ double water::ldens() { double sum=0; int i; if ((T < Tmn) || (T >= Tc)) { throw TPX_Error("water::ldens", "Temperature out of range. T = " + fp2str(T)); } for (i=0; i<8; i++) { sum+=D[i]*pow(1.0 - T/Tc, double(i+1)/3.0); } return Roc*(1+sum); } double water::Tcrit() { return Tc; } double water::Pcrit() { return Pc; } double water::Vcrit() { return 1.0/Roc; } double water::Tmin() { return Tmn; } double water::Tmax() { return Tmx; } char* water::name() { return (char*) m_name.c_str(); } char* water::formula() { return (char*) m_formula.c_str(); } double water::MolWt() { return M; } }