𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular dynamics study of CaCl2 in liquid methanol

✍ Scribed by T. Kosztolányi; I. Bakó; G. Pálinkás


Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
347 KB
Volume
126
Category
Article
ISSN
0167-7322

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Molecular dynamics simulations of liquid
✍ 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

Molecular dynamics study of hydrophobic
✍ Anders Wallqvist 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 409 KB

Computer simulations of an initially disordered molecular fluid composed of water and methane exhibit a phase-separation into a cylindrical core of methane molecules surrounded by an aqueous phase. A water/methane/methanol system also supports two phases, with only a weak preferential salvation of t

Molecular dynamics study of liquid carbo
✍ S.-B. Zhu; G.W. Robinson 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 438 KB

Molecular dynamics (MD) simulation of liquid carbon dioxide near the triple point is carried out on the CRAY X-MP supercomputer. An empirical intermolecular potential is derived by use of the model proposed recently for carbon disuiphide. In addition, the intramolecular degrees of freedom are introd

Molecular clusters in liquid methanol: a
✍ Imre Bakó; Pál Jedlovszky; Gábor Pálinkás 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 520 KB

The structure and topology of molecular clusters present in liquid methanol has been investigated by Reverse Monte Carlo (RMC) simulation. In the simulation results of an X-ray and a neutron diffraction experiment, the latter being performed on fially deuterated methanol, has been fitted simultaneou