2019 AIChE Annual Meeting

Session: Applications of Molecular Modeling to Study Interfacial Phenomena II

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.

Chair

Vance Jaeger, University of Louisville

Co-Chair

Presentations

08:00 AM

(247a) Influence of Interfaces on the Structural Evolution in Ionic Liquid-Ionic Liquid Mixtures
Jindal K. Shah

08:30 AM

(247b) Interfacial Structure of Ionic Liquids Studied with Coarse-Grained Molecular Dynamics
Tyler D. Stoffel, Justin B. Haskins, John W. Lawson, Sergiy Markutsya

08:45 AM

(247c) Spatially Varying Chemical and Physical Properties Modulate Interfacial Hydrophobicity of Self-Assembled Monolayers
Bradley C. Dallin, Hongseung Yeon, Nicholas L. Abbott, Reid Van Lehn

09:00 AM

(247d) The Protein Surface Hydrophilic Lipophilic Balance As a New Approach for Characterizing Large Biosurfactants
Juliana Erika Cristina Cardona Jaramillo, Luke E. K. Achenie, Oscar Alberto Alvarez, Andrés Fernando González Barrios

09:15 AM

(247e) Conformational and Dynamical Behaviors of Polyelectrolytes Under Spatial and Dielectric Confinement
Trung Nguyen, Monica Olvera de la Cruz

09:30 AM

(247f) Gibbs Ensemble Monte Carlo Simulations for Additive Loading in Surfactant Bilayers
Mona Minkara, Connor Venteicher, Joern Siepmann

09:45 AM

(247g) Understanding the Role of Cellulose Nanocrystals As Novel Shale Hydration Inhibitors for Water-Based Drilling Fluids
Andres Vodopivec, Francisco Hung

10:00 AM

(247h) Molecular-Level Characterisation of Crystal/Solution Interfaces: The Case of Ibuprofen
Veselina Marinova, Matteo Salvalaglio

10:15 AM

(50i) Molecular Simulation-Guided Design of Hydrophilic-Hydrophobic Interfaces for Hybrid MOF Microtanks for Methane Storage
Diego Gomez Gualdron, Moises Carreon, Ryther Anderson, Bomsaerah Seong