L02 - Electrolytes and Solutions

Wednesday, 1 June 2022: 08:00-10:00
West Meeting Room 120 (Vancouver Convention Center)
Chair:
Stephen Paddison
08:00
(Invited) Modelling and Simulation for the Search for New Active Materials for Redox Flow Batteries - Results of the International Project Sonar
J. Noack (Fraunhofer-Institute for Chemical Technology), E. Baudrin (LRCS/CNRS UMR 7314), R. Fornari (Denmark Technical University), A. A. Franco (Universite de Picardie Jules Verne), D. Gerlach (Fraunhofer-Institute for Chemical Technology), X. Guan (University of New South Wales), J. Hamaekers, A. Maaß (Fraunhofer SCAI), C. Menictas (University of New South Wales), G. Mourouga (Züricher Hochschule für Angewandte Wissenschaften), H. Nirschl (Karlsruhe Institute of Technology), N. Roznyatovskaya (Fraunhofer-Institute for Chemical Technology), R. Schaerer, J. Schumacher (Züricher Hochschule für Angewandte Wissenschaften), P. de Silva (Denmark Technical University), M. Skyllas-Kazacos (University of New South Wales), J. Wlodarczyk (Züricher Hochschule für Angewandte Wissenschaften), A. Wolf (Karlsruhe Institute of Technology), and J. Yu (Universite de Picardie Jules Vernes)
08:40
Developing Simplified Dynamic Metrics for Ion Solvation Kinetics
S. E. Weitzner, T. A. Pham, C. Orme (Lawrence Livermore National Laboratory), R. Qiu, and B. C. Wood (LLNL)
09:00
Modeling Solvation Thermodynamics in Molten Salts with Quasichemical Theory and Ab Initio-Accurate Deep Learning-Accelerated Simulations
S. Lam (University of Massachusetts Lowell), Y. Shi, and T. Beck (University of Cincinnati)
09:20
Effect of Concentration-Dependent Electrochemical Kinetics in the Modeling of Electrolytic Neutral Pickling in Stainless Steel
A. Bossio Castro, M. Blommaert (KU Leuven, Department of Mechanical Engineering), R. Gielen (Aperam Stainless Steel Belgium), J. Fransaer (KU Leuven, Department of Materials Engineering), and M. Baelmans (KU Leuven, Department of Mechanical Engineering)
09:40
Relating the Ambient Temperature and Ionic Liquid Structure to the Changes of Capacitance Using Molecular Dynamics
H. Ers (University of Tartu), I. Voroshylova (University of Porto), P. Pikma (University of Tartu), and V. Ivanistsev (University of Copenhagen, University of Tartu)