A computer-aided molecular design framework for crystallization solvent design

Chemical Engineering Science

Volumn 61, Issue 4, 2006, Pages 1247-1260

  Karunanithi, Arunprakash T ^a   Achenie, Luke E K ^a   Gani, Rafiqul ^b  

^a UNIVERSITY OF CONNECTICUT   (United States)

^b TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

Computer aided molecular design; Cooling crystallization; Crystal morphology; Drowning out crystallization; MINLP; Optimization; Solvent

Indexed keywords

COMPUTER AIDED DESIGN; CRYSTALLIZATION; DECOMPOSITION; DRUG PRODUCTS; INTEGER PROGRAMMING; MATHEMATICAL MODELS; MELTING; MOLECULAR STRUCTURE; NONLINEAR PROGRAMMING; TOXICITY; VISCOSITY;

COMPUTER-AIDED MOLECULAR DESIGN (CAMD); IBUPROFEN; MIXED INTEGER NONLINEAR PROGRAMMING (MINLP) MODEL; PHARMACEUTICAL COMPOUNDS;

SOLVENTS;

COMPUTER AIDED DESIGN; CRYSTALLIZATION; MOLECULAR STRUCTURE; SOLVENT;

EID: 29444432912     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ces.2005.08.031     Document Type: Article

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