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ms2 features the two main molecular simulation techniques, molecular dynamics (MD) and Monte-Carlo.
This article discussed roles of molecular simulation techniques in petroleum processing.
Molecular simulation techniques were also applied to optimize the microstructural analysis considering models based on its crystalline structure.
However, forced separations in single molecule experiments are difficult, and therefore molecular simulation techniques were applied in our study.
Due to the complexity of the systems, we believe that this point should be studied using molecular simulation techniques rather than analytical approaches.
All the results of this work confirmed that molecular simulation techniques can be used as a tool for investigating the properties and applications of CFRs.
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Additionally the transfer of such molecules into the lipid membrane is investigated by a molecular simulation technique.
A molecular simulation technique is employed to investigate the transport of H2/CH4 mixture through the two-dimensional (2D) channel between adjacent graphene layers.
Hence, this article regarded chlorite as an object of study and used the computer molecular simulation technique to construct skeleton patterns of slit-like chlorite pores.
The molecular simulation technique was adopted to investigate the structure and transport performance of thermally rearranged poly(benzoxazole-co-imide) membranes.
After applying the interaction energies found using the molecular simulation technique, we predicted the swelling equilibria for the hydrogels in a water system.
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