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International Journal of High Performance Computing Applications
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Massively Parallel Monte Carlo Simulations On Cm2 for Gas Adsorption in Zeolite Molecular Sieves

Ai Chent

Currently at Molecular Science Research Center, Pacific Northwest Laboratory, Richland, WA 99352.

Cynthia S. Hirtzel

DEPARTMENT OF CHEMICAL ENGINEERING AND MATERIALS SCIENCE SYRACUSE UNIVERSITY SYRACUSE, NEW YORK

A massively parallel scheme for gas adsorption in zeo lite molecular sieves based on the Macro State Markov Chain Model (Chen, 1993; Chen and Hirtzel, 1993a) has been developed and implemented on the Connection Machine CM2. Implementation details that are impor tant in achieving high efficiency of the parallel algo rithm are described. The results show that the parallel implementation is very efficient, and that simulation time is dramatically reduced in comparison with con ventional sequential schemes.

International Journal of High Performance Computing Applications, Vol. 8, No. 1, 54-63 (1994)
DOI: 10.1177/109434209400800107
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