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Crystallization solvent design

Karunanithi, A., Achenie, L. E. K. Gani, R. (2006), A computer aided molecular design framework for crystallization solvent design, Chemical Engineering Science, 61, 1243-1256. [Pg.19]

Karunanithi, A.T., Achenie, L.E.K., Gani, R., 2005, A Computer Aided Molecular Design Framework for Crystallization Solvent Design, Chemical Engineering Science, In Press. [Pg.80]

Case Study 1 Cooling Crystallization Solvent Design... [Pg.131]

The ideal solubility equation (Eq. 2) is the simplest form of model that is applicable to solvent based crystallization process design. Even though the equation excludes non-ideal interactions in the liquid phase, it is still a useful tool in certain circumstances. [Pg.52]

NRTL-SAC has been demonstrated through the case study on Cimetidine as a valuable aid to solubility data assessment and targeted solvent selection for crystallization process design. The average model error is typically 0.5 Ln (x) [1] and is sufficient as a solvent screening tool. Methods that can deliver greater accuracy would increase the value and utility of these techniques. It is impressive in the case of Cimetidine that the NRTL-SAC correlation is capable of reasonable accuracy and predictive capability on the basis of just 2 fitted parameters. Further work to extend the solvent database and optimize the descriptive parameters will be beneficial, and are planned by the developers. [Pg.78]

Solvent design for crystallization of pharmaceutical products 4.2.6 Viscosity of the Solvent... [Pg.121]

This chapter provides a framework for the design of crystallization solvents for pharmaceutical products. The design part involves application of a... [Pg.143]

Rational designs to save resources Prediction-based screening (in-silico or combination of in-silico and experimental techniques) Molecular Recognition Reduce the number of crystallization solvents, find all predicted polymorphs 5-10 solvents chosen to interact with specific functional groups HBD/HBA propensity Solvent class (H-bonding functionahty)... [Pg.79]

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See also in sourсe #XX -- [ Pg.117 ]



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Crystallization solvent

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