Molecular Dynamics Simulations of Asphaltene Aggregation: Machine-Learning Identification of Representative Molecules, Molecular Polydispersity, and Inhibitor Performance-Reference-Cited by-同舟云学术

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

Published:2023-01-27 Issue:5 Volume:8 Page:4862-4877
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Pétuya Rémi¹^ORCID,Punase Abhishek²,Bosoni Emanuele¹^ORCID,de Oliveira Filho Antonio Pedro²,Sarria Juan³,Purkayastha Nirupam³,Wylde Jonathan J.²⁴,Mohr Stephan¹^ORCID

Affiliation:

1. Nextmol (Bytelab Solutions SL), Barcelona 08018, Spain

2. Clariant Oil Services,Clariant Corporation, Houston, Texas 77258, United States

3. Clariant Produkte (Deutschland) GmbH, Frankfurt 65929, Germany

4. Heriot-Watt University, Edinburgh EH14 4AS, Scotland, U.K.

Funder

Clariant

Ag?ncia per a la Competitivitat de l?Empresa

H2020 Marie Sklodowska-Curie Actions

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.2c07120

Reference80 articles.

1. The future of oil is in chemicals, not fuels

2. Production Chemicals for the Oil and Gas Industry

3. Mullins, O. C.; Pomerantz, A. E.; Andrews, A. B.; Dutta Majumdar, R.; Hazendonk, P.; Ruiz-Morales, Y.; Goual, L.; Zare, R. N. In Springer Handbook of Petroleum Technology; Hsu, C. S., Robinson, P. R., Eds. Springer International: 2017; pp 221–250.

4. Asphaltenes: A Complex and Challenging Flow Assurance Issue To Measure and Quantify Risk

5. Effect of Aromatic Pendants in a Maleic Anhydride-co-Octadecene Polymer on the Precipitation of Asphaltenes Extracted from Heavy Crude Oil

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1. pH-dependent aggregation of tannic acid: Insights from molecular dynamics simulations;Colloids and Surfaces A: Physicochemical and Engineering Aspects;2024-11

2. Review and perspectives on CO2 induced asphaltene instability: Fundamentals and implications for phase behaviour, flow assurance, and formation damage in oil reservoirs;Fuel;2024-07

3. Machine Learning Suggests Possible Bias in Molecular Simulations for Asphaltene Systems;Energy & Fuels;2024-02-16

4. Mechanistic Study on the Effect of Molecular Structure Characteristics of Asphaltene on the Synergistic Modification with EVA on Model Waxy Oil;Energy & Fuels;2024-01-15

5. Molecular dynamics simulations of aggregation and viscosity properties of model asphaltene molecules containing a polycyclic hydrocarbon nucleus with toluene additive under shear interactions;RSC Advances;2024

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