Molecular Modeling Services
Membrane Materials Modeling...
1.  In-Silico Design of Novel Water-Treatment Membranes with Improved Properties:
Example: Solvated BW30 X-linked Polymer

  • Water transport
  • Solute transport
  • Chlorine resistance
  • X-link influence
  • Free volumes
  • Foulant adsorption
2.  Modeling Metal-Doped Zeolite Frameworks Used in Adsorptive Desalination:
Mechanisms of...
  • Water adsorption
  • Foulant adsorption
  • Thermodynamics

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