From d655cf0eae4e3d97ed5ccda1c909b2bd6ed84582 Mon Sep 17 00:00:00 2001 From: Steven DeCaluwe Date: Fri, 30 Dec 2016 15:22:31 -0700 Subject: [PATCH] Correcting RedlichKwongMFTP::getActivityConcentrations Implementing correct 'activity concentrations' routine, based on fugacity coefficients, and cleaning up extraneous comments, whitespace, etc. --- src/thermo/RedlichKwongMFTP.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/thermo/RedlichKwongMFTP.cpp b/src/thermo/RedlichKwongMFTP.cpp index 73a739542..0e2109962 100644 --- a/src/thermo/RedlichKwongMFTP.cpp +++ b/src/thermo/RedlichKwongMFTP.cpp @@ -207,9 +207,9 @@ void RedlichKwongMFTP::compositionChanged() void RedlichKwongMFTP::getActivityConcentrations(doublereal* c) const { - getPartialMolarVolumes(m_partialMolarVolumes.data()); + getActivityCoefficients(c); for (size_t k = 0; k < m_kk; k++) { - c[k] = moleFraction(k) / m_partialMolarVolumes[k]; + c[k] *= moleFraction(k)*pressure()/RT(); } }