Using Computationally-Determined Properties for Machine Learning Prediction of Self-Diffusion Coefficients in Pure Liquids-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Using Computationally-Determined Properties for Machine Learning Prediction of Self-Diffusion Coefficients in Pure Liquids

Published:2021-11-18 Issue:47 Volume:125 Page:12990-13002
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Allers Joshua P.¹,Priest Chad W.²,Greathouse Jeffery A.²^ORCID,Alam Todd M.¹³^ORCID

Affiliation:

1. Department of Organic Materials Science, Sandia National Laboratories, Albuquerque, New Mexico 87185, United States

2. Geochemistry Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, United States

3. ACC Consulting New Mexico, Cedar Crest, New Mexico 87008, United States

Funder

Sandia National Laboratories

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.1c07092

Reference84 articles.

1. A review of technology diffusion models with special reference to renewable energy technologies

2. Measuring adsorption, diffusion and flow in chemical engineering: applications of magnetic resonance to porous media

3. Multinuclear relaxation and NMR self-diffusion study of the molecular dynamics in acetonitrile-chloroform liquid mixtures

4. Selective measurements of the self-diffusion coefficients in acetic acid-water and methanol-water systems by pulsed-gradient fourier-transform NMR

5. Self-Diffusion Coefficients of Methane or Ethane Mixtures with Hydrocarbons at High Pressure by NMR

Cited by 17 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. Self diffusion, viscosity, and surface tension estimations of amines by using AUA4 force field;Journal of Molecular Liquids;2024-09

2. Machine Learning model for the prediction of self-diffusion coefficients in liquids, compressed gases and supercritical fluids;Chemical Engineering Journal;2024-09

3. Modeling self‐diffusion coefficients of ionic liquids using ePC‐SAFT and FVT combined with Einstein relation;AIChE Journal;2024-05-07

4. Simulation and Data-Driven Modeling of the Transport Properties of the Mie Fluid;The Journal of Physical Chemistry B;2024-01-05

5. A dual-cutoff machine-learned potential for condensed organic systems obtained via uncertainty-guided active learning;Physical Chemistry Chemical Physics;2024

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号京ICP备18003416号-3