Predicting solubility and driving forces for crystallization using the absolute chemical potential route-Reference-Cited by-同舟云学术

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Predicting solubility and driving forces for crystallization using the absolute chemical potential route

Published:2022-12-15 Issue:2 Volume:121 Page:
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Khanna Vikram¹^ORCID,Doherty Michael F.¹,Peters Baron²³

Affiliation:

1. Deptartment of Chemical Engineering, University of California Santa Barbara, Santa Barbara, CA, USA

2. Deptartment of Chemical & Biomolecular Engineering, University of Illinois Urbana-Champaign, Urbana, IL, USA

3. Deptartment of Chemistry, University of Illinois Urbana-Champaign, Urbana, IL, USA

Funder

Eli Lilly

National Science Foundation

Center for Scientific Computing

California NanoSystems Institute

Materials Research Science and Engineering Center

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2022.2155595

Reference48 articles.

1. AIChE Journal

2. Drug Solubility: Importance and Enhancement Techniques

3. Mean ionic activity coefficients in aqueous NaCl solutions from molecular dynamics simulations

4. Chemical Potentials, Activity Coefficients, and Solubility in Aqueous NaCl Solutions: Prediction by Polarizable Force Fields

5. Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates

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1. Pharmaceutical Digital Design: From Chemical Structure through Crystal Polymorph to Conceptual Crystallization Process;Crystal Growth & Design;2024-06-24

2. A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals;The Journal of Chemical Physics;2023-11-14

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