166 Modeling of Interfacial Systems


Description:
The focus of this session will be on simulation studies of interfacial systems

Sponsor:
Interfacial Phenomena


Chair:
Patricia Taboada-Serrano
Assistant Professor
Rochester Institute of Technology
Chemical Engineering
160 Lomb Memorial Drive
Rochester, NY
14623-5603
Email: ptsche@rit.edu

Co-Chair:
Ateeque Malani
Assistant Professor
Indian Institute of Technology Bombay
Department of Chemical Engineering
Powai
Mumbai
Fax Number: +91-22-25726895
Email: amalani@iitb.ac.in


Papers:
166a
Water Structure on Mica Surfaces: Synergistic Insights from Experiments and Molecular Simulations
Sapna Sarupria, Clemson University; Jiarun Zhou, Clemson University; Nurun Nahar Lata, Michigan Technological University; Brittany Glatz, Clemson University; Will Cantrell, Michigan Technological University
166b
The Surprising Mechanism for Wettability Alteration By Non-Ionic Surfactants
Soumik Das, University of Texas Austin; Fardin Khabaz, The University of Texas at Austin; Quoc P. Nguyen, The University of Texas at Austin; Roger T. Bonnecaze, The University of Texas at Austin
166e
Intrinsic Analysis of Fluid Interfaces Involving Ionic Liquids
Miguel Jorge, University of Strathclyde; György Hantal, University of Vienna; M. Natália D. S. Cordeiro, University of Porto; Iuliia Voroshylova, University of Porto; Marcelo Sega, University of Vienna; Sofia Kantorovich, University of Vienna; Christian Schröder, University of Vienna
166d
Computational Design of New Classes of Chemoresponsive Liquid Crystalline Systems
Tibor Szilvási, University of Wisconsin-Madison; Nanqi Bao, University of Wisconsin-Madison; Karthik Nayani, University of Wisconsin-Madison; Huaizhe Yu, University of Wisconsin-Madison; Nicholas L. Abbott, University of Wisconsin-Madison; Manos Mavrikakis, University of Wisconsin-Madison
166c
Grand Canonical Monte Carlo Simulations of Electrical Double Layer Potential Profiles in Nanopores
Patricia Taboada-Serrano, Rochester Institute of Technology; Evan Ney, Rochester Institute of Technology; Chia-Hung Hou, National Taiwan University
166f
Searching for Ideal Structure-Directing Agents in Colloidal Copper Nanocrystal Synthesis
Zihao Chen, Pennsylvania State University; Kristen Fichthorn, Pennsylvania State University
166g
Exploiting Unique Properties of Liquid-Gas Interfaces for Efficient Gas Absorption and Separation: Insights from Molecular Dynamics
Dmitry Lapshin, The University of Edinburgh; Andrey Gromov, The University of Edinburgh; Eleanor Campbell, The University of Edinburgh; Lev Sarkisov, University of Edinburgh
166h
Molecular Dynamics Simulations Reveal Single-Stranded DNA (ssDNA) Forms Ordered Structures upon Adsorbing Onto Single-Walled Carbon Nanotubes (SWCNTs)
Kevin R. Hinkle, National Institute of Standards and Technology
166i
Modelling of Interfacial Tension and Adsorption of Inhomogeneous Systems with Classical Density Functional Theory
Edgar Luis Camacho Vergara, Center for Energy Resources Engineering (CERE), Technical University of Denmark; Xiaodong Liang, Center for Energy Resources Engineering (CERE), Technical University of Denmark; Georgios M. Kontogeorgis, Center for Energy Resources Engineering (CERE), Technical University of Denmark
166j
Using Molecular Simulation to Study the Interfacial Properties of CO2/Water/Silica Systems
Adam R. Rall, University at Buffalo, The State University of New York; Jeffrey R. Errington, University at Buffalo
Abstract Submissions Closed
See more of this Group/Topical: Engineering Sciences and Fundamentals
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