TraPPE-zeo: Transferable Potentials for Phase Equilibria Force Field for All-Silica Zeolites-Reference-Cited by-同舟云学术

TraPPE-zeo: Transferable Potentials for Phase Equilibria Force Field for All-Silica Zeolites

Published:2013-11-11 Issue:46 Volume:117 Page:24375-24387
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Bai Peng¹²,Tsapatsis Michael²,Siepmann J. Ilja¹²

Affiliation:

1. Department of Chemistry and Chemical Theory Center, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455, United States and

2. Department of Chemical Engineering and Materials Science, University of Minnesota, 421 Washington Avenue SE, Minneapolis, Minnesota 55455, United States

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp4074224

Reference99 articles.

1. Molecular statistical calculation of the thermodynamic adsorption characteristics of zeolites using the atom–atom approximation. Part 1.—Adsorption of methane by zeolite NaX

2. Prediction of low occupancy sorption of alkanes in silicalite

3. Simulating the Adsorption of Alkanes in Zeolites

Cited by 133 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Multi-scale computational screening of all-silica zeolites for adsorptive separation of ternary (H2S/CO2/CH4) mixtures;Chemical Engineering Journal;2024-09

2. Adsorption of difluoromethane (HFC-32) and pentafluoroethane (HFC-125) and their mixtures in silicalite-1: An experimental and Monte Carlo simulation study;The Journal of Chemical Physics;2024-08-15

3. Monte Carlo Simulations of Water Pollutant Adsorption at Parts-per-Billion Concentration: A Study on 1,4-Dioxane;Journal of Chemical Theory and Computation;2024-07-10

4. Solvent structure and dynamics over Brønsted acid MWW zeolite nanosheets;The Journal of Chemical Physics;2024-06-10

5. Understanding shape selectivity effects of hydroisomerization using a reaction equilibrium model;The Journal of Chemical Physics;2024-06-04