Session information

Modeling / Molecular simulation

Processes and Fundamentals

Modeling / Molecular simulation 1

Mon. Jul 10, 2023 11:10 AM - 12:50 PM Room 8 (301 B)

Chair:Ying Li, Akshay Deshmukh

11:10 AM - 11:35 AM

[O1.MM-01(KN)] Contribution of molecular simulation to a better understanding of organic solvent nanofiltration

Mohammed Lamine Ouinten¹, Aziz Ghoufi¹, *Anthony Szymczyk¹ (1. Université de Rennes)

11:35 AM - 12:00 PM

[O1.MM-02] MD and DPD simulations of polymeric membrane formation via phase inversion processes

*Yuanhui Tang^1,2, Chunyu Li¹, Yakai Lin², Lin Wang², Huanhuan Wu^3,2, Lixin Yu², Xiaolin Wang² (1. China University of Mining Technology-Beijing, 2. Tsinghua University, 3. Beijing Jiaotong University)

12:00 PM - 12:25 PM

[O1.MM-03] Understanding salt transport in reverse osmosis module: a two-dimensional modeling approach

*Edward Kimani^1,2, Slawomir Porada³, Antoine J. B. Kemperman^1,2, Walter G. J. Van der Meer^2,4, Maarten Biesheuvel¹ (1. Wetsus, The Netherlands , 2. Univ. of Twente, The Netherlands, 3. Wrocław Univ. of Sci. & Tech., Poland, 4. Oasen Drinking Water Company, The Netherlands)

12:25 PM - 12:50 PM

[O1.MM-04] An Evolutionary Algorithm for the Design of Functionalized Materials for Separation Membranes

*Panagiotis Krokidas¹, Stelios Karozis¹, Michael Kanourgiakis¹, Ioannis Economou², Theodore Steriotis¹, George Giannakopoulos¹ (1. National Centre for Scientific Research "Demokritos", 2. Texas A&M University at Qatar)

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