Solubility of Organic Salts in Solvent–Antisolvent Mixtures: A Combined Experimental and Molecular Dynamics Simulations Approach

[Image: see text] We combine molecular dynamics simulations with experiments to estimate solubilities of an organic salt in complex growth environments. We predict the solubility by simulations of the growth and dissolution of ions at the crystal surface kink sites at different solution concentratio...

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Detalles Bibliográficos
Autores principales: Bjelobrk, Zoran, Rajagopalan, Ashwin Kumar, Mendels, Dan, Karmakar, Tarak, Parrinello, Michele, Mazzotti, Marco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9367008/
https://www.ncbi.nlm.nih.gov/pubmed/35833664
http://dx.doi.org/10.1021/acs.jctc.2c00304

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9367008/
https://www.ncbi.nlm.nih.gov/pubmed/35833664
http://dx.doi.org/10.1021/acs.jctc.2c00304

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