Correlation and prediction of drug molecule solubility with the NRTL-SAC model

Chau Chyun Chen, Peter A. Crafts

Research output: Contribution to journalArticlepeer-review

6 Scopus citations


The recently proposed Nonrandom Two-Liquid Segment Activity Coefficient model (NRTL-SAC) of Chen and Song (2004) provides a simple and thermodynamically consistent framework to correlate and predict drug solubility in pure solvents and mixed solvents, based on a small initial set of measured solubility data. Used within a process simulator, or through an Excel spreadsheet, the model forms the scientific foundation of an effective solubility modeling tool in support of early stage crystallization process development. The methodology is also applicable to other unit operations where phase equilibrium calculations factor prominently in process design and development.

Original languageEnglish
Pages (from-to)859-864
Number of pages6
JournalComputer Aided Chemical Engineering
Issue numberC
StatePublished - 2006


  • Nonrandom Two-Liquid theory
  • Solubility
  • activity coefficient
  • crystallization


Dive into the research topics of 'Correlation and prediction of drug molecule solubility with the NRTL-SAC model'. Together they form a unique fingerprint.

Cite this