Molecular Dynamics Simulations of Asphaltene Aggregation: Machine-Learning Identification of Representative Molecules, Molecular Polydispersity, and Inhibitor Performance

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Authors: Rémi Pétuya; Abhishek Punase; Emanuele Bosoni; Antonio Pedro de Oliveira Filho; Juan Sarria; Nirupam Purkayastha; Jonathan J. Wylde; Stephan Mohr

Journal title: ACS Omega

Journal number: Volume 8, Issue 5

Journal publisher: American Chemical Society

Published year: 2023

Published pages: 4862-4877

DOI identifier: 10.1021/acsomega.2c07120

ISSN: 2470-1343