COSMOSPACE (COSMO Surface-Pair Activity Coefficient Equation) is an activity coefficient model in which the activity coefficient of the components in a liquid chemical mixture can be related through their molar fraction.[1] It was initially developed as an implicit solution to COSMO-RS.
UNIQUAC is a first order approximation for the interactions in a fluid. This means that the local concentrations around the different types of molecules in a fluid mixture are taken independently from each other. This leads to an inconsistency, which gives systematic errors for strong interacting molecules. This inconsistency is solved in the COSMOSPACE model. This is achieved by applying a self-consistent partition sum description of the ensemble of molecule surfaces. Therefore, the COSMOSPACE model outperforms Uniquac in the description of vapor–liquid and liquid–liquid phase equilibria.[2]
^Andreas Klamt, Gerard J. P. Krooshof, Ross Taylor "COSMOSPACE: Alternative to conventional activity-coefficient models", AIChE J., 48(10), 2332–2349, (2002)
^Thesis of Dennis Bosse, "Diffusion, Viscosity, and Thermodynamics in Liquid Systems", Technischen Universität Kaiserslautern (2005), [1] 22 May 2011 at the Wayback Machine"
January 01, 1970
cosmospace, cosmo, surface, pair, activity, coefficient, equation, activity, coefficient, model, which, activity, coefficient, components, liquid, chemical, mixture, related, through, their, molar, fraction, initially, developed, implicit, solution, cosmo, uni. COSMOSPACE COSMO Surface Pair Activity Coefficient Equation is an activity coefficient model in which the activity coefficient of the components in a liquid chemical mixture can be related through their molar fraction 1 It was initially developed as an implicit solution to COSMO RS UNIQUAC is a first order approximation for the interactions in a fluid This means that the local concentrations around the different types of molecules in a fluid mixture are taken independently from each other This leads to an inconsistency which gives systematic errors for strong interacting molecules This inconsistency is solved in the COSMOSPACE model This is achieved by applying a self consistent partition sum description of the ensemble of molecule surfaces Therefore the COSMOSPACE model outperforms Uniquac in the description of vapor liquid and liquid liquid phase equilibria 2 See also edit in English UNIQUAC in French UNIQUAC in French COSMOSPACE Chemical equilibrium Chemical thermodynamics FugacityReferences edit Andreas Klamt Gerard J P Krooshof Ross Taylor COSMOSPACE Alternative to conventional activity coefficient models AIChE J 48 10 2332 2349 2002 Thesis of Dennis Bosse Diffusion Viscosity and Thermodynamics in Liquid Systems Technischen Universitat Kaiserslautern 2005 1 Archived 22 May 2011 at the Wayback Machine Retrieved from https en wikipedia org w index php title COSMOSPACE amp oldid 1211672297, wikipedia, wiki, book, books, library,
