Molecular mechanism of hydrocarbons binding to the metal–organic framework

TY - JOUR

T1 - Molecular mechanism of hydrocarbons binding to the metal–organic framework

AU - Sun, Xiuquan

AU - Wick, Collin D.

AU - Thallapally, Praveen K.

AU - McGrail, B. Peter

AU - Dang, Liem X.

N1 - JavaScript is disabled on your browser. Please enable JavaScript to use all the features on this page. The adsorption and diffusivity of methane, ethane, n-butane, n-hexane and cyclohexane in a metal organic framework (MOF) with the organic linker tetrakis[4-(carboxyphenyl)oxamethyl]methane, the metal salt, Zn 2+, and an organic pillar, 4,4′-bipyridin was studied using molecular dynamics simulations.

PY - 2011/1/1

Y1 - 2011/1/1

UR - https://www.sciencedirect.com/science/article/pii/S0009261410015526

U2 - 10.1016/j.cplett.2010.11.070

DO - 10.1016/j.cplett.2010.11.070

M3 - Article

VL - 501

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4

ER -