2016 AIChE 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

Lev Gelb, University of Texas at Dallas

Co-Chair

Francisco Hung, Northeastern University

Presentations

08:00 AM

(78a) Single-File Diffusion of Gas Mixtures in Dipeptide Nanochannels: High Field Diffusion NMR Study
Akshita Dutta, Poorvajan Sekar, Muslim Dvoyashkin, Clifford R. Bowers, Kirk Ziegler, Sergey Vasenkov

08:16 AM

(78b) Exploring Diffusion in Hierarchical Zeolites with Molecular Dynamics Simulations
Joern Siepmann, Peng Bai, Swagata Parhari, Emmanuel Haldoupis, Paul Dauenhauer, Michael Tsapatsis

08:32 AM

(78c) Compressibility of Confined Fluid and Its Dependence on Pressure
Gennady Gor, Daniel Siderius, Vincent K. Shen, Noam Bernstein

08:48 AM

(78d) Supercooled Water in Small Nanotubes As a Shear-Thinning Fluid
José Cobeña, Muhammad Sahimi, Mahdi Khademi

09:04 AM

(78e) Rich Phase Behavior of Confined Water and Ice at the Nanoscale
Xiao Cheng Zeng

09:20 AM

(78f) Deep Eutectic Solvents in Confinement: Structure, Dynamics and CO2 Solubility
Yan Shen, Francisco R. Hung

09:36 AM

(78g) Molecular Simulation Study on Interfacial Humid Ionic Liquids in Supercapacitors
Guang Feng, Alexei A Kornyshev, Rui Qiao

09:52 AM

(78h) Competitive Adsorption of Linear Alkanes on Nanoporous Carbon: Density Functional Theory and Molecular Dynamics Simulation
Jinlu Liu, D. N. Asthagiri, Walter G. Chapman

10:08 AM

(78i) Shifting Isotropic-Nematic Transition in Strongly Confined Semi-Flexible Polymer Solutions
Yeng-Long Chen, Dmytro Luzhbin