Molecular interactions and transformation kinetics in polymorphic fat crystals

Robust Bayesian Estimation of Kinetics for the Polymorphic Transformation of L-Glutamic Acid Crystals

Polymorphism, in which there exist different crystal forms for the same chemical compound, is an important phenomenon in pharmaceutical manufacturing. In this article, a kinetic model for the crystallization of L-glutamic acid polymorphs is developed from experimental data. This model appears to be the first to include all of the transformation kinetic parameters including dependence on the tem...

Kinetics Estimation and Polymorphic Transformation Modeling of Buspirone Hydrochloride

In this work, solvent-mediated polymorphic transformation of metastable Form II to stable Form I of Buspirone Hydrochloride (BUS-HCl) was studied. The polymorphic transformation was monitored using in-situ Raman spectroscopy. The solvent-mediated transformation process is governed by the dissolution of Form II and the nucleation and subsequent growth of Form I. The model parameters for each of ...

Kinetics Op Phase Transformation in Some Cholesteric Liquid Crystals

The time evolution of the interface between the cholesteric and the blue phase of the cholesteryl esters has been measured as a function-Cif supercooling. The results are interpreted as consistent with the physical picture of a shape-preserving interface profile propagating with a rate that is determined by the orientational relaxation of the molecules near the interface. This method of investi...

Exciton–Phonon Interactions in Molecular Crystals

Modelling temperature-dependent properties of polymorphic organic molecular crystals

We present a large-scale study of the temperature-dependence of structures, free energy differences and properties of polymorphic molecular organic crystals. Lattice-vibrational Gibbs free energy differences between 475 pairs of polymorphs of organic molecular crystals have been calculated at 0 K and at their respective melting points, using a highly accurate anisotropic multipole-based force f...