| Literature DB >> 20568888 |
Myungshim Kang, Aurelien Perera, Paul E Smith.
Abstract
A recent publication indicated that simulations of acetone-water mixtures using the KBFF model for acetone indicate demixing at mole fractions less than 0.28 of acetone, in disagreement with experiment and two previously published studies. Here, we indicate some inconsistancies in the current study which could help to explain these differences.Entities:
Year: 2009 PMID: 20568888 PMCID: PMC2776781 DOI: 10.1063/1.3248018
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488