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Additionally the transfer of such molecules into the lipid membrane is investigated by a molecular simulation technique.
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.
The results from the simulation agree with the experimental data, indicating that the molecular simulation technique is a useful method in the field of materials design and development for the membrane separation process.
A molecular simulation technique, combined with X-ray diffraction measurements, was applied to the determination of the crystal structure of poly(4,4′-diphenylene pyromellitimide), a high-modulus aromatic polyimide.
A molecular simulation technique is employed to investigate the transport of H2/CH4 mixture through the two-dimensional (2D) channel between adjacent graphene layers.
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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.
However, forced separations in single molecule experiments are difficult, and therefore molecular simulation techniques were applied in our study.
Molecular simulation techniques were also applied to optimize the microstructural analysis considering models based on its crystalline structure.
Recent developments in molecular simulation techniques provide estimates of data, and valuable new insights, in the design of processes using zeolite adsorbents or catalysts.
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