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Computational analysis of the applicability of siliceous zeolites as reverse osmosis membranes

Curtin University
Dr Zak Hughes (Aggregated by)
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ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rfr_id=info%3Asid%2FANDS&rft.title=Computational analysis of the applicability of siliceous zeolites as reverse osmosis membranes&rft.publisher=Curtin University&rft.description=This data set contains the data generated from molecular dynamics simulations of hydrated purely-siliceous zeolites (silicalite, MTF, SFF, VET, GON) performed to investigate the suitability of such materials as reverse osmosis membranes. Both behaviour of water and sodium and chloride ions within the zeolites was investigated. The The simulations were performed using the iVEC facilities.&rft.creator=Dr Zak Hughes&rft.date=2011&rft.relation=http://dx.doi.org/10.1021/jp109591f&rft_subject=Statistical Mechanics in Chemistry&rft_subject=CHEMICAL SCIENCES&rft_subject=THEORETICAL AND COMPUTATIONAL CHEMISTRY&rft_subject=Physical Chemistry of Materials&rft_subject=MACROMOLECULAR AND MATERIALS CHEMISTRY&rft.type=dataset&rft.language=English Access the data

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Brief description

This data set contains the data generated from molecular dynamics simulations of hydrated purely-siliceous zeolites (silicalite, MTF, SFF, VET, GON) performed to investigate the suitability of such materials as reverse osmosis membranes. Both behaviour of water and sodium and chloride ions within the zeolites was investigated. The The simulations were performed using the iVEC facilities.

Created: 2011-03-17

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Chemical Sciences | Macromolecular and Materials Chemistry | Physical Chemistry of Materials | Statistical Mechanics in Chemistry | Theoretical and Computational Chemistry |

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ACN 633 798 857