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Pore Network Modeling of Membrane Mass Transport for Gas Separation

Kooti, Mina | 2021

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 54096 (06)
  4. University: Sharif University of Technology
  5. Department: Chemical and Petroleum Engineering
  6. Advisor(s): Soltanieh, Mohammad; Bastani, Daryush; Jamshidi, Saeed
  7. Abstract:
  8. The purpose of this research is to model transport and separation of single and gas mixtures through pore network modeling in dense membranes. In the first part of the project, the mass transfer and governing mechanisms of transport are investigated. In the second part of the project, simulation of membrane pore network in 3D of Cartesian coordinate is done. In the third part of the project permeability of single gas and ideal selectivity of binary gases for an actual membrane by desired mechanism are calculated. Then the results of pore network modeling were compare with the results from molecular dynamic simulation for single gas in polyurethane membrane with reasonable agreement. In this work the effects of temperature and pressure on the permeability factor and separation factor have been studied. It was shown that for H2O, CO2, CO and H2 gases, with increasing pressure, the solubility and diffusion coefficient are increased. Also increasing temperature leads to decreased solubility and increased diffusion coefficient and permeability parameter. Finally the results are generalized for binary gas mixtures and the effect of temperature and pressure on permeability and selectivity factor has been investigated. It was observed that with increasing pressure, selectivity factor of H2O/H2،H2O/CO،CO2/CO and CO2/H2 are decreased. In addition, with increasing temperature, the selectivity factor of binary gas mixtures H2O/H2،H2O/CO،CO2/CO are increased and the selectivity factor of CO2/H2 is decreased
  9. Keywords:
  10. Pore Network Model ; Porous Membrane ; Gases Separation ; Solubility ; Permeability ; Dense Membranes ; Pore Flow Mechanism

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