From 78d799ee75cc6123c4af20b2d4da8fd01a369e06 Mon Sep 17 00:00:00 2001 From: Ian Bell Date: Fri, 14 Aug 2015 18:24:29 -0600 Subject: [PATCH] And the changes to the header --- src/Backends/Helmholtz/MixtureDerivatives.h | 15 ++++++++++++++- 1 file changed, 14 insertions(+), 1 deletion(-) diff --git a/src/Backends/Helmholtz/MixtureDerivatives.h b/src/Backends/Helmholtz/MixtureDerivatives.h index d3caafb7..4d7721d0 100644 --- a/src/Backends/Helmholtz/MixtureDerivatives.h +++ b/src/Backends/Helmholtz/MixtureDerivatives.h @@ -208,7 +208,20 @@ class MixtureDerivatives{ return 1/RT*summer + 1/(HEOS.gas_constant()*HEOS.T_reducing())*nd_ndln_fugacity_i_dnj_dnk__constT_V_xi(HEOS,i,j,k,xN_flag) - d_nAij_dX(HEOS, i, j, xN_flag, WRT); } else if (WRT== iDelta){ - return -1000; + double summer = 0; + summer += d2_ndln_fugacity_i_dnj_ddelta_dtau__constx(HEOS, i, j, xN_flag)*ndtaudni__constT_V_nj(HEOS, k, xN_flag); + summer += d2_ndln_fugacity_i_dnj_ddelta2__consttau_x(HEOS, i, j, xN_flag)*nddeltadni__constT_V_nj(HEOS, k, xN_flag); + summer += d_ndln_fugacity_i_dnj_ddelta__consttau_x(HEOS, i, j, xN_flag)*d_nddeltadni_dDelta(HEOS, k, xN_flag); + summer += d2_ndln_fugacity_i_dnj_dxk_dDelta__consttau(HEOS, i, j, k, xN_flag); + std::size_t mmax = HEOS.mole_fractions.size(); + if (xN_flag == XN_DEPENDENT){ mmax--; } + for (std::size_t m = 0; m < mmax; ++m){ + summer -= HEOS.mole_fractions[m]*d2_ndln_fugacity_i_dnj_dxk_dDelta__consttau(HEOS, i, j, m, xN_flag); + } + return 1/RT*summer - d_nAij_dX(HEOS, i, j, xN_flag, iDelta); + } + else{ + return _HUGE; } } static Eigen::MatrixXd Lstar(HelmholtzEOSMixtureBackend &HEOS, x_N_dependency_flag xN_flag){