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Investigation of Surfactin Behavior at the Presence of Wate, Oil, and Asphaltene

Pezeshgi Modarres, Hassan | 2009

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 39416 (06)
  4. University: Sharif University of Technology
  5. Department: Chemical and Petroleum Engineering
  6. Advisor(s): Roosta Azad, Reza; Yaghmaee, Soheyla
  7. Abstract:
  8. In this research, the behavior of surfactin at the presence of water, decane, and asphaltene is investigated. Decane is chosen instead of crude oil to simplify the model. In the first chapter, basic molecular structures are introduced. Furthermore, in the second chapter molecular dynamics simulation, as the main tool in these simulations, is introduced. In the third chapter, one of the most important quantities in chemical engineering, diffusion coefficient, is chosen to investigate the efficiency and accuracy of molecular dynamics simulation method to calculate such a quantity and results show that molecular dynamics simulation can present accurate quantities, more accurate than common models, but simulation parameters should be chosen accurately too. In the chapter 4, behavior of surfactin molecules is investigated in the presence of water, decane, and asphaltene. Results show that the hydrogen bonds occurring between surfactin and water and between surfactin molecules have significant roles on the behavior of surfactin in the water/decane interface. Results show that a single surfactin molecule can move from water phase into the water/decane interface and settles there and doesn’t move into none of phases completely, but at the presence of more surfactin molecules simulation results show that surfactin molecules can completely separate from water phase and enter into the decane phase and this phenomena would be possible only with the hydrogen bonds occurring between the surfactin molecules
  9. Keywords:
  10. Molecular Dynamic Simulation ; Biosurfactant ; Asphaltene ; Surfactin ; Decone ; Water/Organic Interface

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