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Liquid–vapor interface of water–methanol mixture. I. Computer simulation

✍ Scribed by Matsumoto, Mitsuhiro; Takaoka, Yuji; Kataoka, Yosuke

Book ID
120032148
Publisher
American Institute of Physics
Year
1993
Tongue
English
Weight
977 KB
Volume
98
Category
Article
ISSN
0021-9606

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Molecular dynamics simulations of liquid
Molecular dynamics simulations of liquid methanol and methanol–water mixtures with polarizable models
✍ Haibo Yu; Daan P. Geerke; Haiyan Liu; Wilfred F. van Gunsteren 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 476 KB

## Abstract A polarizable model for simulation of liquid methanol, compatible with the COS/G2 water model, has been developed using the Charge‐on‐Spring (COS) technique. The model consists of three point charges, with one polarizable center on the oxygen atom. The Lennard–Jones parameters on the ox