Temperature-Dependent Density and Viscosity Prediction for Hydrocarbons: Machine Learning and Molecular Dynamics Simulations

Pawan Panwar; Quanpeng Yang; Ashlie Martini

doi:10.1021/acs.jcim.3c00231

journal article Aug 15, 2023

Temperature-Dependent Density and Viscosity Prediction for Hydrocarbons: Machine Learning and Molecular Dynamics Simulations

Pawan Panwar

Quanpeng Yang

Ashlie Martini

Journal of Chemical Information and Modeling Vol. 64 No. 7 pp. 2760-2774 · American Chemical Society (ACS)

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References

100

[1]

Rizvi S. Q. A. (2009) 10.1520/mnl59-eb

[2]

10.1016/s0926-6690(99)00061-8

[3]

Jameel A. G. A. Encycl. Anal. Chem. Appl. Theory Instrum. (2006)

[4]

10.3390/ma9080651

[5]

Stachowiak G. (2006)

[6]

10.1016/s0043-1648(99)00143-x

[7]

(2003)

[8]

10.1039/c3gc41442f

[9]

Dearden, J.; Worth, A. In Silico Prediction of Physicochemical Properties; EUR 23051 EN; Office for Official Publications of the European Communities (OPOCE): Luxembourg, 2007.

[10]

A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes

Carlos Nieto-Draghi, Guillaume Fayet, Benoit Creton et al.

Chemical Reviews 10.1021/acs.chemrev.5b00215

[11]

10.1007/978-3-319-17281-1_1

[12]

Nantasenamat C. EXCLI J. (2009)

[13]

10.1002/qsar.200810063

[14]

10.1016/s0021-9517(02)00036-2

[15]

10.1021/ci060104e

[16]

10.1021/cr940024m

[17]

10.1016/s1461-5347(99)00215-1

[18]

10.1016/s1461-5347(99)00215-1

[19]

10.1021/cr900238d

[20]

10.1080/1062936x.2013.773372

[21]

10.1021/ci980117v

[22]

10.1016/0098-1354(94)00012-d

[23]

10.1021/ci9704468

[24]

10.1021/ci000154y

[25]

10.1002/(sici)1099-1395(200001)13:1<80::aid-poc179>3.0.co;2-8

[26]

10.3998/ark.5550190.0003.406

[27]

10.1021/ci9903298

[28]

10.1021/ci000139t

[29]

10.1039/d1sc01000j

[30]

Viscosity Prediction of Lubricants by a General Feed-Forward Neural Network

G. C. Loh, Hsin-Mei Lee, X. Y. Tee et al.

Journal of Chemical Information and Modeling 10.1021/acs.jcim.9b01068

[31]

A New Machine-Learning Tool for Fast Estimation of Liquid Viscosity. Application to Cosmetic Oils

Valentin Goussard, François Duprat, Jean-Luc Ploix et al.

Journal of Chemical Information and Modeling 10.1021/acs.jcim.0c00083

[32]

10.1080/10916469908949768

[33]

10.1021/ef3001339

[34]

10.1021/ci500206u

[35]

10.1039/c7me00094d

[36]

10.1016/j.fluid.2019.112259

[37]

10.1038/s42005-020-0338-y

[38]

10.1088/2632-2153/acac01

[39]

10.1016/j.cej.2023.142454

[40]

10.1016/j.compchemeng.2014.09.009

[41]

Dreyfus G. (2005)

[42]

10.1080/10629360601054313

[43]

10.1021/ci00008a012

[44]

Dehmer M. (2012) 10.1002/9783527645121

[45]

Todeschini R. (2000) 10.1002/9783527613106

[46]

Todeschini R. (2010)

[47]

10.1007/978-1-4020-9783-6_14

[48]

10.3390/lubricants8120102

[49]

10.1021/jp992399n

[50]

10.1021/ie030512x

Showing 50 of 100 references

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References

Details

Published: Aug 15, 2023
Vol/Issue: 64(7)
Pages: 2760-2774
License: View

Authors

P

Pawan Panwar

Department of Mechanical Engineering, University of California Merced, 5200 North Lake Road, Merced, California 95343, United States

Q

Quanpeng Yang

Department of Mechanical Engineering, University of California Merced, 5200 North Lake Road, Merced, California 95343, United States

A

Ashlie Martini

Department of Mechanical Engineering, University of California Merced, 5200 North Lake Road, Merced, California 95343, United States

Cite This Article

Pawan Panwar, Quanpeng Yang, Ashlie Martini (2023). Temperature-Dependent Density and Viscosity Prediction for Hydrocarbons: Machine Learning and Molecular Dynamics Simulations. Journal of Chemical Information and Modeling, 64(7), 2760-2774. https://doi.org/10.1021/acs.jcim.3c00231

Temperature-Dependent Density and Viscosity Prediction for Hydrocarbons: Machine Learning and Molecular Dynamics Simulations

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