Atomistic and continuum scale modeling of functionalized graphyne membranes for water desalination

Abstract

Atomistic-scale simulations and upscale analysis are performed to examine permeability and desalination performance of functionalized graphyne membranes, characterizing the potential of energy savings and enhanced recovery rates in application to reverse osmosis desalination systems.

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 01, 2018
Source ID
10.1039/c7nr07963j

Entities

People

  • Adri. C. T. Van Duin
  • Matthias Ihme
  • Muralikrishna Raju
  • Pavan B. Govindaraju

Organizations

  • German Research Foundation
  • Lone Star College System
  • Pennsylvania State University
  • Stanford University
  • United States Army
  • United States Army Research Laboratory
  • United States Department of Energy

Tags

Readers

  • Computational Fluid Dynamics (CFD)
  • Environmental Engineering
  • Nanocomposite Materials Science