✦ LIBER ✦

Sodium chloride ion pair interaction in water: computer simulation

✍ Scribed by Max Berkowitz; Omar A. Karim; J.Andrew McCammon; Peter J. Rossky

Publisher: Elsevier Science
Year: 1984
Tongue: English
Weight: 324 KB
Volume: 105
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(84)85660-2

No coin nor oath required. For personal study only.

✦ Synopsis

The thermodynamics and structure of a sodium chloride ion pair in liquid water are studted as a function of the ion pair separation Distinct mmuna in the free energy of the system arc found for conrxr and solventscpzated

📜 SIMILAR VOLUMES

The interaction energies and polarizabil

The interaction energies and polarizabilities of sodium fluoride, sodium chloride, and some alkali and halide ions pairs

✍ David G. Bounds; Alan Hinchliffe 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 313 KB

Ion exclusion equilibria in the system g

Ion exclusion equilibria in the system glycerol–sodium chloride–water–Dowex-50

✍ Edward L. Shurts; Robert R. White 📂 Article 📅 1957 🏛 American Institute of Chemical Engineers 🌐 English ⚖ 399 KB 👁 1 views

Monte Carlo Simulations of Guanidinium A

Monte Carlo Simulations of Guanidinium Acetate and Methylammonium Acetate Ion Pairs in Water

✍ Shailesh Saigal; Julianto Pranata 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 241 KB

Free energy profiles of guanidinium acetate and methylammonium acetate ion pairs in water were calculated using Monte Carlo simulations. Both systems display a single shallow free energy minimum at a distance corresponding to a contact ion pair. Hydrogen bonding between the ions is an important feat

Enthalpic Pair Interaction of Rubidium C

Enthalpic Pair Interaction of Rubidium Chloride with α-Amino Acid in Water at 298.15 K

✍ Hu Man-Cheng; Yang Qian; Jiang Yu-Cheng; Xia Shu-Ping 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 61 KB

A computer simulation study of iodide io

A computer simulation study of iodide ion solvation in the vicinity of a liquid water/metal interface

✍ E. Spohr 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 519 KB

The density distribution of an iodide ion in the vicinity of a water/platinum interface has been calculated by classical molecular dynamics simulations based on painvise additive interaction potentials. The approach of the iodide ion to the surface is strondy sterically hindered by the layer of adso

Computer simulation of the aggregation o

Computer simulation of the aggregation of ion pairs in the polymerization of styrene initiated by RCl/SnCl4/NRCl− systems

✍ Ryszard Szymanski; Krzysztof Matyjaszewski 📂 Article 📅 1995 🏛 John Wiley and Sons 🌐 English ⚖ 487 KB

## Abstract Computer simulations show that ion pair aggregation can be responsible for the unusual dependence of the initial rate of polymerization on the concentration of added salt in the cationic polymerization of styrene initiated by RCl/SnCl~4~/NRCl^−^. Addition of small amounts of tetraalkyla