Literature DB >> 19044854

Comment on "An optimized potential for carbon dioxide" [J. Chem. Phys. 122, 214507 (2005)].

Thorsten Merker, Jadran Vrabec, Hans Hasse.   

Abstract

A molecular model for carbon dioxide is assessed regarding vapor-liquid equilibrium properties. Large deviations, being above 15%, are found for vapor pressure and saturated vapor density in the entire temperature range.

Entities:  

Year:  2008        PMID: 19044854     DOI: 10.1063/1.2965899

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Prediction of experimental properties of CO2: improving actual force fields.

Authors:  Raúl Fuentes-Azcatl; Hector Domínguez
Journal:  J Mol Model       Date:  2019-05-06       Impact factor: 1.810

  1 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.