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Governing Influence of Thermodynamic and Chemical Equilibria on the Interfacial Properties in Complex Fluids.

A R HarikrishnanPurbarun DharSateesh GedupudiSarit Kumar Das
Published in: The journal of physical chemistry. B (2018)
We propose a comprehensive analysis and a quasi-analytical mathematical formalism to predict the surface tension and contact angles of complex surfactant-infused nanocolloids. The model rests on the foundations of the interaction potentials for the interfacial adsorption-desorption dynamics in complex multicomponent colloids. Surfactant-infused nanoparticle-laden interface problems are difficult to deal with because of the many-body interactions and interfaces involved at the meso-nanoscales. The model is based on the governing role of thermodynamic and chemical equilibrium parameters in modulating the interfacial energies. The influence of parameters such as the presence of surfactants, nanoparticles, and surfactant-capped nanoparticles on interfacial dynamics is revealed by the analysis. Solely based on the knowledge of interfacial properties of independent surfactant solutions and nanocolloids, the same can be deduced for complex surfactant-based nanocolloids through the proposed approach. The model accurately predicts the equilibrium surface tension and contact angle of complex nanocolloids available in the existing literature and present experimental findings.
Keyphrases
  • molecular dynamics simulations
  • ionic liquid
  • electron transfer
  • perovskite solar cells
  • aqueous solution
  • molecular dynamics
  • systematic review
  • high resolution
  • density functional theory
  • data analysis