Molecular Dynamics Simulation of Pure n-Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields-Reference-Cited by-同舟云学术

Molecular Dynamics Simulation of Pure n-Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields

Published:2019-06-28 Issue:29 Volume:123 Page:6229-6243
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Papavasileiou Konstantinos D.¹²^ORCID,Peristeras Loukas D.¹^ORCID,Bick Andreas²,Economou Ioannis G.¹³^ORCID

Affiliation:

1. Institute of Nanoscience and Nanotechnology, Molecular Thermodynamics and Modelling of Materials Laboratory, National Center for Scientific Research “Demokritos”, Aghia Paraskevi, Attikis, GR-15310 Athens, Greece

2. Scienomics SARL, 16 rue de l’Arcade, 75008, Paris, France

3. Chemical Engineering Program, Texas A&M University at Qatar, Education City, P.O. Box 23874, Doha, Qatar

Funder

Stavros Niarchos Foundation

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.9b02840

Reference143 articles.

1. Phase Behavior of Petroleum Reservoir Fluids

2. Experimental solubility data of various n-alkane waxes: effects of alkane chain length, alkane odd versus even carbon number structures, and solvent chemistry on solubility

3. Protein folding and association: Insights from the interfacial and thermodynamic properties of hydrocarbons

Cited by 59 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Coarse-Grained Simulations of Columnar Ionic Liquid Crystals: Comparison with Experiments;The Journal of Physical Chemistry B;2024-08-20

2. Predicting the artificial dynamical acceleration of binary hydrocarbon mixtures upon coarse-graining with roughness volumes and simple averaging rules;The Journal of Chemical Physics;2024-05-02

3. Customizing reformulated gasoline using biofuel-additives to replace aromatics;Journal of Molecular Liquids;2024-03

4. Extraction of N- and S-compounds in gasoline and diesel from ionic liquids: A molecular dynamics study;Journal of Molecular Liquids;2024-03

5. Relative Resolution: An Analysis with the Kullback–Leibler Entropy;Journal of Chemical Theory and Computation;2024-02-28