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Mu et al., 2018 - Google Patents

Mass-conserved density gradient theory model for nucleation process

Mu et al., 2018

Document ID
9278787057848067617
Author
Mu X
Frank F
Riviere B
Alpak F
Chapman W
Publication year
Publication venue
Industrial & Engineering Chemistry Research

External Links

Snippet

Modeling droplet nucleation processes requires a molecular-scale approach to describe the interfacial tension (IFT) of spherical interfaces. Density gradient theory (DGT), also referred to as square gradient theory in some publications, has been widely used to compute the IFT …
Continue reading at pubs.acs.org (other versions)

Classifications

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    • G06F19/701—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds for molecular modelling, e.g. calculation and theoretical details of quantum mechanics, molecular mechanics, molecular dynamics, Monte Carlo methods, conformational analysis or the like
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    • G06F19/704—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds for prediction of properties of compounds, e.g. calculating and selecting molecular descriptors, details related to the development of SAR/QSAR/QSPR models, ADME/Tox models or PK/PD models
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