Publication detail

A critical review on thermodynamic and hydrodynamic modeling and simulation of liquid antisolvent crystallization of pharmaceutical compounds

Thakur, A.K., Kumar, R., Vipin, K.V.K., Kumar, A., Kumar G.G., Naresh, G.K.

Original Title

A critical review on thermodynamic and hydrodynamic modeling and simulation of liquid antisolvent crystallization of pharmaceutical compounds

Type

journal article in Web of Science

Language

English

Original Abstract

Fine particles are in great demand in the pharmaceutical industry due to their versatile applications. Liquid antisolvent crystallization (LASC) is one of the promising approaches to prepare fine particles without requiring high energy. The interdependence of system thermodynamics, mass transfer kinetics, and the multi-phase hydrodynamics in the liquid antisolvent crystallization process is not well understood. In this review, the different modeling aspects of LASC are described from a fundamental perspective. The system thermodynamics of LASC is discussed and several models used in literature to predict the solubility in pure solvents and binary solvent mixtures are summarized. A detailed description of supersaturation, metastable zone width and induction time in antisolvent crystallization are presented and critically analyzed. The nucleation and growth kinetics are discussed and interpreted in terms of process variables. The hydrodynamic aspect of LASC which involves the mixing at different length scales is discussed and analyzed in detail. The CFD simulation-based approach to describe the interaction among different phenomena is critically reviewed. The crystallization scale-up, which is a major challenge in the LASC process, is discussed. A guideline for crystallization scale-up using the CFD-based modeling approach is presented which will be helpful to prospective researchers.

Keywords

CFD; Hydrodynamics; Liquid antisolvent crystallization; Scale-up; Solubility; Supersaturation

Authors

Thakur, A.K., Kumar, R., Vipin, K.V.K., Kumar, A., Kumar G.G., Naresh, G.K.

Released

15. 9. 2022

Publisher

Elsevier B.V.

ISBN

0167-7322

Periodical

JOURNAL OF MOLECULAR LIQUIDS

Number

362

State

Kingdom of the Netherlands

Pages from

119663

Pages to

119663

Pages count

17

URL

https://www-sciencedirect-com.ezproxy.lib.vutbr.cz/science/article/pii/S0167732222012016

BibTex

@article{BUT178541,
  author="Gajendra Kumar {Gaurav}",
  title="A critical review on thermodynamic and hydrodynamic modeling and simulation of liquid antisolvent crystallization of pharmaceutical compounds",
  journal="JOURNAL OF MOLECULAR LIQUIDS",
  year="2022",
  number="362",
  pages="119663--119663",
  doi="10.1016/j.molliq.2022.119663",
  issn="0167-7322",
  url="https://www-sciencedirect-com.ezproxy.lib.vutbr.cz/science/article/pii/S0167732222012016"
}