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Monte Carlo simulation of primitive water in slit-like pores: networks and clusters

✍ Scribed by Jörg Galle; Horst L. Vörtler


Book ID
117219029
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
258 KB
Volume
421
Category
Article
ISSN
0039-6028

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Electrostatic partitioning in slit pores
✍ Myung-Suk Chun; Ronald J. Phillips 📂 Article 📅 1997 🏛 American Institute of Chemical Engineers 🌐 English ⚖ 945 KB

Equilibrium partitioning of spherical solutes between slit pores and bulk solution is investigated by the Gibbs ensemble Monte Carlo method. Two types of perturbations are performed in this simulation: a random displacement of solutes that ensures equilibrium within both bulk and pore regions, and r