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.
While UNIQUAC is a first order approximation, COSMOSPACE gives the exact solution of a lattice model in which pairwise molecule surfaces interact. Therefore, COSMOSPACE outperforms Uniquac in the description of vapor–liquid and liquid–liquid phase equilibria.[2]
See also
- (in English) UNIQUAC
- (in French) UNIQUAC
- (in French) COSMOSPACE
- Chemical equilibrium
- Chemical thermodynamics
- Fugacity
References
- ↑ 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), Archived 22 May 2011 at the Wayback Machine"
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