Toward a process-based molecular model of SiC membranes: III. Prediction of transport and separation of binary gaseous mixtures based on the atomistic reactive force field-Reference-Cited by-同舟云学术

Toward a process-based molecular model of SiC membranes: III. Prediction of transport and separation of binary gaseous mixtures based on the atomistic reactive force field

Published:2015-01 Issue: Volume:473 Page:85-93
ISSN:0376-7388
Container-title:Journal of Membrane Science
language:en
Short-container-title:Journal of Membrane Science

Author:

Naserifar Saber,Tsotsis Theodore T.,Goddard III William A.,Sahimi Muhammad

Funder

Office of Energy Sciences, Chemical Sciences, Geosciences & Biosciences Division of the Department of Energy

Department of Transportation

Publisher

Elsevier BV

Subject

Filtration and Separation,Physical and Theoretical Chemistry,General Materials Science,Biochemistry

Reference24 articles.

1. Toward a process-based molecular model of SiC membranes. I. Development of a reactive force field;Naserifar;J. Phys. Chem. C,2013

2. ReaxFF: a reactive force field for hydrocarbons;van Duin;J. Phys. Chem. A,2001

3. A general multi-objective force field optimization framework and its application to the design of reactive force fields for silicon carbide;Jaramillo-Botero;J. Chem. Theory Comput.,2014

4. Toward a process-based molecular model of SiC membranes. II. Reactive dynamics simulation of the pyrolysis of polymer precursor to form amorphous SiC;Naserifar;J. Phys. Chem. C,2013

5. Porous silicon carbide sintered substrates for high-temperature membranes;Suwanmethanond;Ind. Eng. Chem. Res.,2000

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