Loading...

Investigation of the Influence of Charge and External Field on Desalination by Carbon Nanostructures Using Molecular Dynamics Simulation

Mortazavi, Vahid Reza | 2022

175 Viewed
  1. Type of Document: Ph.D. Dissertation
  2. Language: Farsi
  3. Document No: 55119 (08)
  4. University: Sharif University of Technology
  5. Department: Mechanical Engineering
  6. Advisor(s): Moosavi, Ali; Nouri-Borujerdi, Ali
  7. Abstract:
  8. Membrane filtration systems are one of the most widely used and effective methods for desalination of saline water in the seas and oceans and treatment of industrial and domestic effluents in order to provide the fresh water resources needed for human survival on the earth and also meet the needs of various industries. The low efficacy of the traditional technologies necessitates the introduction of novel desalination methods. For this purpose, carbon-based membranes have been proposed as high-performance membranes because of their high mechanical strength, ultrafast permeation, and controllable pore size. In this study, by conducting molecular dynamics simulations, the effects of electric field and electric charge on the performance of carbon-based membrane in the water desalination process are investigated. The results show that the use of an oscillating electric field with an amplitude of 0.3 V/Å and frequency of 0.035 fs-1 can increase the water flow rate through the nanoporous graphene membrane by 59.6% and reach the salt rejection to 100%. Also, using an electric charge of +12e with a particular arrangement on the edges of 16.35 Å nanopores in the multilayer graphene membrane can improve the water flow and ion rejection by 59.4% and 27.3%, respectively, compared to the uncharged membrane with 12.6 Å pore diameter. This result can be considered as an effective method for designing membrane-based water desalination systems
  9. Keywords:
  10. Water Desalination ; Nanoporous Graphene Membrane ; Molecular Dynamic Simulation ; Electrical Field ; Charged Graphene Membrane ; Salt Rejection ; Multilayer Graphene Membrane

 Digital Object List

 Bookmark

No TOC