Applications of Molecular Modeling to Study Interfacial Phenomena II | AIChE

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Applications of Molecular Modeling to Study Interfacial Phenomena II

Chair(s)

Errington, J., University of Buffalo

Co-chair(s)

Shah, J., University of Notre Dame

We invite contributions that focus on the use of computational tools (e.g., molecular dynamics, Monte Carlo, density functional theory) to study interfacial phenomena, including wetting, adsorption, and surfactants.

Presentations

12:30 PM
(677a) Molecular Simulation of Adsorption and Separation of Pure Noble Gases and Noble Gas Mixtures on Single Wall Carbon Nanotubes
12:46 PM
(677b) Molecular Dynamic Simulation of Clay Particles Swelling
1:02 PM
(677c) Disruption of Ice Adhesion through Surface Functionalization
1:18 PM
(677d) Wetting and Interfacial Properties of CO2/Brine/Illite System
1:34 PM
(677e) Reactive Atomic Simulations of Kinetic Friction and Its Velocity Dependence at SiC/SiC Interfaces
1:50 PM
(677f) Interfacial Properties of Model Systems Using Isothermal Isobaric Monte Carlo Simulations
2:06 PM
(677g) Characterizing the Curvature of Liquid-Vapor Interfaces and Its Effect on the Kelvin Equation Using Mean-Field Lattice Density Functional Theory
2:22 PM
(677h) Molecular Dynamics Study of the Degradation of Alkylsilane Monolayers Under Shear
2:38 PM
(677i) Thermodynamics of Cassie-Wenzel Transitions on Nanotextured Surfaces

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AIChE Pro Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
AIChE Explorer Members $225.00
Non-Members $225.00

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