Toward a process-based molecular model of SiC membranes. 1. development of a reactive force field

Journal of Physical Chemistry C

Volumn 117, Issue 7, 2013, Pages 3308-3319

  Naserifar, Saber ^a   Liu, Lianchi ^b   Goddard III, William A ^c   Tsotsis, Theodore T ^a   Sahimi, Muhammad ^a  

^a University of Southern California ^*  (United States)

^b SHANGHAI JIAO TONG UNIVERSITY   (China)

^c CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AMORPHOUS SYSTEMS; CARBON MOLECULAR SIEVE; EXPERIMENTAL DATUM; HIGH-TEMPERATURE REACTION; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; NANOPOROUS MEMBRANE; POLYMER PRECURSORS; PRECERAMIC POLYMER; PROCESS-BASED; PYROLYSIS STUDY; QM CALCULATIONS; QM SIMULATIONS; REACTION STEPS; REACTIVE FORCE FIELD; REACTIVE PROCESS; SIC MEMBRANES; SILICON CARBIDES (SIC);

CALCULATIONS; COMPUTER SIMULATION; MOLECULAR DYNAMICS; MOLECULAR SIEVES; POLYMERS; PYROLYSIS; QUANTUM THEORY; REACTION KINETICS; SILICON CARBIDE; SILICON NITRIDE;

GAS PERMEABLE MEMBRANES;

EID: 84874138858     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3078002     Document Type: Article

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