2017 Annual Meeting

Session: Effects of Confinement on Molecular Properties

Confinement in nanostructures like adsorbent and membrane pores often leads to peculiar thermodynamic and transport properties. This session welcomes computational and experimental studies that explore these behaviors.

Chair

Liangliang Huang, University of Oklahoma

Co-Chair

Robert Riggleman, University of Pennsylvania

Presentations

12:30 PM

(140a) Adsorption and Phase Behavior of Mixed Alkanes in Nano Slit Graphite Pores: An iSAFT Application
Jinlu Liu, Dilip Asthagiri, Walter Chapman

12:46 PM

(140b) Oscillation and Enhancement of Gas Solubility in Nanopores
Xiaochen Yu, Liangliang Huang, Shuangliang Zhao, Honglai Liu, Keith E Gubbins

01:02 PM

(140c) Effect of Interaction Position on Molecular Transport and Separation through a Multi-Site Nanopore
Shaghayegh Agah, Matteo Pasquali, Anatoly Kolomeisky

01:18 PM

(140d) Strain-Induced Topological Defects and Configurational Transitions in Liquid Crystals
Jose Martinez-Gonzalez, Monirosadat Sadati, Khia Kurtenbach, Luis X. de Pablo, Harrison Shapiro, Samuel Morin, Ye Zhou, Juan J. de Pablo

01:34 PM

(140e) Alkyl Chain Length and Nanoconfinement Effects on Dynamics of Imidazolium-Based Ionic Liquids
Yu Zhang, Naresh C. Otsi, Eugene Mamontov, Peter Cummings

01:50 PM

(140f) A Molecular Simulation Study on CO2 and a Deep Eutectic Solvent in Slit Nanopores
Yan Shen, Francisco Hung

02:06 PM

(140g) Molecular Simulation of Methane Adsorption Behavior in Nanopores for Shale Gas Development: With Comparison between Graphite and Kerogen Models
Jinrong Cao, Yunfeng Liang, Yoshihiro Masuda, Hiroaki Koga, Hiroyuki Tanaka, Toshifumi Matsuoka

02:22 PM

(140h) Brownian Dynamics Simulations on Spontaneous Extension of DNA on Cationic Lipid Bilayers Along Grooved Structures
Chih-Chen Hsieh, Ching-Kuan Wang, Chang Ming-Yi