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activity coefficient

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3 results in Keywords: activity coefficient

Materials Chemistry

Determining ion activity coefficients in ion-exchange membranes with machine learning and molecular dynamics

Hishara Keshani Gallage Dona, Teslim Olayiwola, Luis A. Briceno-Mena, Christopher G. Arges, Revati Kumar, Jose A. Romagnoli

Version 1 posted 22 February 2023

353

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Theoretical and Computational Chemistry

Capturing Molecular Interactions in Graph Neural Networks: A Case Study in Multi-Component Phase Equilibrium

Shiyi Qin, Shengli Jiang, Jianping Li, Prasanna Balaprakash, Reid Van Lehn, Victor Zavala

Version 2 posted 23 September 2022

1,784

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Chemical Engineering and Industrial Chemistry

Molecular simulation of activity coefficients and the phase diagram of CH3OH-CO2 binary system

Jianbo Li, Lichang Wang

Version 1 posted 07 February 2023

268

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