Molecular Simulation in Interface and Surfactant

Edited by
April 2023
140 pages
  • ISBN978-3-0365-7471-4 (Hardback)
  • ISBN978-3-0365-7470-7 (PDF)

This book is a reprint of the Special Issue Molecular Simulation in Interface and Surfactant that was published in

Chemistry & Materials Science
Medicine & Pharmacology

The application fields of colloid and interface chemistry are very wide, covering many aspects such as industrial and agricultural production, daily chemistry, enhanced oil recovery, and so on. The traditional experimental analysis of a colloid and interface chemistry system includes various instrumental analysis methods such as spectroscopy, rheometer, microscopes, etc. In recent decades, molecular simulation has become an important research method in this field. It can investigate at the molecular level and provide mechanisms or insights that are hard or even impossible to obtain from an experiment. Many applications of molecular simulation have been reported in the literature, such as the behavior of surfactant, self-assembly, enhanced oil recovery, adsorption around interface, etc. This reprint has collected ten research articles which relate to the application of molecular dyamics simulation in colloide and interface chemistry.

  • Hardback
© 2022 by the authors; CC BY-NC-ND license
minimum miscible pressure; CO2 enhanced oil recovery; molecular dynamics; antifouling membrane; protein adsorption; mussel protein; hydrophilic film; hydrophobic film; molecular dynamics simulation; pH-induced structural transitions; rodlike micelle; sphecial micelle; cationic surfactant; MHD stagnation flow; nanofluid; heat transfer; carbon nanotube; heat sink; self-diffusion in liquids; transport properties of liquids; random walk process; viscosity of liquids; one-component plasma; collective motion in liquids; microemulsion; interfacial tension; end to end distance; dissipative particle dynamics (DPD) simulation; demulsifier; fluorinated; demulsification mechanism; molecular dynamics simulation; neural network analysis; genetic function approximation; heavy oil-in-water emulsion; demulsification; Janus graphene oxide; molecular dynamic simulation; bidirectional pulsed electric field; O/W emulsion; demulsification; molecular dynamics simulation; antifouling polymer; zwitterionic; surface hydration; molecular dynamics simulation