✦ LIBER ✦

Molecular Dynamics Simulations of Multicomponent Diffusion. 2. Nonequilibrium Method

✍ Scribed by Wheeler, Dean R.; Newman, John

Book ID: 118060154
Publisher: American Chemical Society
Year: 2004
Tongue: English
Weight: 116 KB
Volume: 108
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp047849c

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Molecular Dynamics Simulations of Multic

Molecular Dynamics Simulations of Multicomponent Diffusion. 1. Equilibrium Method

✍ Wheeler, Dean R.; Newman, John 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 114 KB

Detailed molecular simulations to invest

Detailed molecular simulations to investigate multicomponent diffusion models

✍ Harshit A. Patel; Shekhar Garde; E. Bruce Nauman 📂 Article 📅 2006 🏛 American Institute of Chemical Engineers 🌐 English ⚖ 134 KB 👁 2 views

Molecular dynamics simulation of diffusi

Molecular dynamics simulation of diffusivity

✍ Liu, Juanfang ;Zeng, Danling ;Li, Qin ;Gao, Hong 📂 Article 📅 2008 🏛 Higher Education Press and Springer 🌐 English ⚖ 137 KB

Nonequilibrium molecular dynamics calcul

Nonequilibrium molecular dynamics calculation of the thermal diffusion factor

✍ J.M. Kincaid; X. Li; B. Hafskjold 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 624 KB

Molecular dynamics simulations of diffus

Molecular dynamics simulations of diffusion mechanisms in NiAl

✍ B. Soule De Bas; D. Farkas 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 252 KB

Methods of nonequilibrium statistical me

Methods of nonequilibrium statistical mechanics in molecular simulations

✍ Miroslav Grmela 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 367 KB

Abetract. Governing equations of molectiar simulations that involve coupling between molecular and macroscopie proplerties are derived from z linetic equation. Keywords. Molecular simulatzans, kinetic theory. ## INTRODUCTION In molecular simulations a macroscopic system is regarded as composed of