2022 Annual Meeting

Session: Applications of Molecular Modeling to Study Interfacial Phenomena II

Chair

Obioma Uche, Rochester Institute of Technology

Co-Chair

Presentations

08:00 AM

(46a) Characteristics of Droplet Explosions Studied with Non-Equilibrium Molecular Dynamics Simulations
Dominik Schaefer, Hans Hasse, Maximilian Kohns, Babette Kunstmann

08:15 AM

(46b) Bubble Nucleation in the Surfactant Stabilized Polyol-CO2 Mixtures:Insights from a Classical Density Function Theory Study
Sriteja Mantha, Huikuan Chao, Andrew Ylitalo, Benjamin Laccetti, Thomas Fitzgibbons, Weijun Zhou, Valeriy Ginzburg, Richard C. Flagan, Julia A. Kornfield, Zhen-Gang Wang

08:30 AM

(46c) Interfacial Thermodynamics of Cryogenic Fluids: The Effect of Non-Condensable Gas on Fluid Storage
Michael DeLyser, Ashwin Ravichandran, Wayne J. Mullinax, John W. Lawson

08:45 AM

(46d) Energy Optimization of Nanochannel Fluid Extraction with Various Channel Geometries
Zachary Diermyer, Yidong Xia, Jiaoyan Li

09:15 AM

(46f) Free-Energy of Monomeric Species in Uio-66 Metal-Organic Framework
Sanoj -, Yamil Colón

09:30 AM

(46g) Structural Origin of Multiple Alkylated Cyclopentane As an Effective Lubricant
Jee-Ching Wang, Vidit Singh

09:45 AM

(46h) Extracting Anisotropy Strength and Interfacial Free Energy of Al-Mg Alloy Under Rapidcooling Conditions Using Molecular Dynamics Simulations
Daniel Dolce, Pabitra Choudhury

10:00 AM

(46i) Dynamic Evolution of Atomically Dispersed Catalysts
Shaama Mallikarjun Sharada, Nicholas Humphrey, Selin Bac

10:15 AM

(46j) Molecular Simulations Study of Calcium Carbonate-Amino Acid-Dentin Interactions
Gennady Gor, Alina Emelianova, Andrei Potanin, Max Maximov, Tatiana V. Brinzari