Brief description
The results of molecular dynamics simulations of FT30 polyamide reverse osmosis membranes solvated in aqueous solutions. The free energy of adsorption of both sodium and chloride ions and potential foulant molecules to the membrane interface, calculated from umbrella sampling are also included in the dataset. The simulations were performed using the iVEC facilities.
Created: 2010-09-10
Subjects
Chemical Sciences |
Macromolecular and Materials Chemistry |
Physical Chemistry of Materials |
Statistical Mechanics in Chemistry |
Theoretical and Computational Chemistry |
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