Session information

Modeling / Molecular simulation

Processes and Fundamentals

Modeling / Molecular simulation 2

Mon. Jul 10, 2023 2:00 PM - 3:40 PM Room 8 (301 B)

Chair: Hiromitsu Takaba, Zhaohuan Mai

2:00 PM - 2:25 PM

[O1.MM-05(KN)] Effect of different manufacturing methods on polyamide reverse-osmosis membranes for desalination: Insights from molecular dynamics simulations

Jinlong He¹, Jeffrey McCutcheon², *Ying Li¹ (1. University of Wisconsin-Madison, 2. University of Connecticut)

2:25 PM - 2:50 PM

[O1.MM-06] Molecular Simulation of Polymer Membranes using a Machine Learning-aided Multiscale Approach

*Eleonora Ricci¹, Dimitris-Paraskevas Gerakinis¹, George Giannakopoulos¹, Vangelis Karkaletsis¹, Doros N. Theodorou², Niki Vergadou¹ (1. National Centre for Scientific Research "Demokritos", 2. National Technical University of Athens)

2:50 PM - 3:15 PM

[O1.MM-07] Multiscale modeling to guide energy-efficient separation of mixed xylenes using membranes

*Akshay Deshmukh¹, Mathew M. Swisher¹, Nicolas G. Hadjiconstantinou¹, John H. Lienhard¹ (1. Massachusetts Institute of Technology)

3:15 PM - 3:40 PM

[O1.MM-08] Miscibilities of poly(vinylidene fluoride) and antifouling polymers: Molecular dynamics study

*Ryo Nagumo¹, Kazuki Nakaya¹, Shuichi Iwata¹, Kazuki Akamatsu² (1. Nagoya Institute of Technology, 2. Kogakuin University)

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