𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Solvation of Mg2+ ions in methanol–water mixtures: Molecular dynamics simulation

✍ Scribed by Marcin Rybicki; Ewa Hawlicka

Book ID
113533264
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
436 KB
Volume
400
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Structure of methanol-methanol associate
Structure of methanol-methanol associates in dilute methanol-water mixtures from molecular dynamics simulation
✍ S.Y. Noskov; M.G. Kiselev; A.M. Kolker; B.M. Rode 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 510 KB

Molecular dynamics simulations have been performed for 8 methanol-water solutions using rigid and flexible potential models. The heat capacity, the radial distribution fbnctions and potential mean force obtained by MD simulations were compared to previous simuhuions and experimental results. Special

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

Solvation of ions in the gas-phase: a mo
Solvation of ions in the gas-phase: a molecular dynamics simulation
✍ Orlando M. Cabarcos; James M. Lisy 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 621 KB

Molecular dynamics simulations have been performed on the collision between a cesium ion and a cluster of twenty methanol molecules. This process, generating a solvated ion, was studied over a range (I to 25 eV> of eight collision energies. Preliminary analysis of this gas phase solvation has includ