Solid State Transformations of α-Lactose Monohydrate in Alcoholic Media

Control of solvated crystallisation of α-lactose monohydrate

We present a mathematical model of solvated crystallization of α-lactose monohydrate and discuss strategies to control the crystallization process in semi-batch mode with the goal to privilege the production of small particles in the range between 130μm and 330μm. We compare specific and unspecific cost functions leading to optimal strategies with significantly different effects on product qual...

Transition state analysis of solid-solid transformations in nanocrystals.

A systematic simulation methodology is introduced for the accurate determination of experimentally measurable quantities characterizing solid-solid phase transformations under pressure. The atomistic mechanisms of nucleation and growth in a structural transformation of pressurized CdSe nanocrystals are identified using transition path sampling computer simulation. A committor-based transition s...

Finding Critical Nucleus in Solid-State Transformations

Based on the phase-field total free energy functional and free-end nudged elastic band (NEB) algorithm, a new methodology is developed for finding the saddle-point nucleus in solid-state transformations. Using cubic fi tetragonal transformations in both two and three dimensions as examples, we show that the activation energy and critical nucleus configuration along the minimum energy path (MEP)...

Phase Transformations Preparation of Solid State Materials

Solid state characterization of mometasone furoate anhydrous and monohydrate forms.

Mometasone furoate is a potent glucocorticoid anti-inflammatory agent. Its anhydrous Form 1 and monohydrate form were characterized by X-ray crystallography, X-ray powder diffraction at ambient and elevated temperature, thermal analysis, FT-IR, and dynamic moisture adsorption. In Form 1, mometasone furoate molecules pack tightly with molecules interlocked in a space group of P2(1)2(1)2(1). The ...