Tuning the Morphology of Pharmaceutical Compounds <i>via</i> Model Based Solvent Selection

Arunprakash T. Karunanithi; Charles Acquah; Luke E. K. Achenie

doi:10.1016/S1004-9541(08)60107-X

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Tuning the Morphology of Pharmaceutical Compounds via Model Based Solvent Selection

Updated：2026-01-06

- Tuning the Morphology of Pharmaceutical Compounds via Model Based Solvent Selection
- Chinese Journal of Chemical Engineering Vol. 16, Issue 3, Pages: 465-473(2008)
- Affiliations：
  
  1. National Risk Management Research Laboratory, U. S. Environmental Protection Agency,Ohio,Cincinnati,USA
  2. Department of Chemical, Materials & Biomolecular Engineering, University of Connecticut, Storrs,Connecticut,USA
  3. Department of Chemical Engineering, Virginia Polytechnic Institute and State University, Blacksburg,Virginia,USA
- Author bio：
- Funds：
- DOI：10.1016/S1004-9541(08)60107-X
  CLC：
- Published：2008
- Accepted：
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Model Based Solvent Selection[J]. , 2008, 16(3): 465-473.
DOI：

Model Based Solvent Selection[J]. , 2008, 16(3): 465-473. DOI： 10.1016/S1004-9541(08)60107-X.

摘要

Abstract

In this paper we present a strategy for tuning the crystal morphology of pharmaceutical compounds by the appropriate choice of solvent

via

an optimization model.A three-stage approach involving a pre-design stage

a product design stage and a post-design experimental verification stage is presented.The pre-design stage addresses the formulation of the property constraint for crystal morphology.This involves crystallization experiments and development of property models and constraints for morphology.In the design stage various property requirements for the solvent along with crystal morphology are considered and the product design problem is formulated as a mixed integer nonlinear programming model.The design stage provides an optimal solvent/list of candidate solvents. Similar to the pre-design stage

in the post design experimental verification stage

the morphology of the crystals (precipitated from the designed solvent)is verified through crystallization experiments followed by product characterization

via

scanning electron microscopy

powder X-ray diffraction imaging and Fourier transform spectra analysis.

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Tuning the Morphology of Pharmaceutical Compounds via Model Based Solvent Selection

DOI：10.1016/S1004-9541(08)60107-X

摘要

Abstract

关键词

Keywords

references