Thermodynamics of mixing methanol with supercritical CO2 as seen from computer simulations and thermodynamic integration

Author:

Horváth Réka A.1234,Horvai George1234,Idrissi Abdenacer56789ORCID,Jedlovszky Pál1011124ORCID

Affiliation:

1. Department of Inorganic and Analytical Chemistry

2. Budapest University of Technology and Economics

3. H-1111 Budapest

4. Hungary

5. University of Lille

6. Faculty of Sciences and Technologies

7. LASIR (UMR CNRS 8516)

8. 59655 Villeneuve d’Ascq

9. France

10. Department of Chemistry

11. Eszterházy Károly University

12. H-3300 Eger

Abstract

The thermodynamics of mixing supercritical CO2 with liquid methanol is studied using computer simulations and thermodynamic integration.

Funder

Országos Tudományos Kutatási Alapprogramok

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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