Influence of Solution Composition and Temperature on the Crystal Form of Sodium Dehydroacetate

Zhang, Xia; Yin, Qiuxiang; Hou, Baohong; Bao, Ying; Gong, Junbo; Rohani, Sohrab

doi:10.1002/ceat.201600725

Cited by 1 publication

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“…The phase transformation from form II to hydrate can be represented as shown below: where K h in eq is the equilibrium constant of eq ; a (API) and represent the activities of form II and hydrate of spironolactone, respectively, and those equal to 1 if the pure solids of them are taken as the standard states, i.e., with unity activity; ,, a (H 2 O) stands for the activity of water. Thus, it can be seen that the equilibrium constant is related to the activity of water at identical temperature and pressure.…”

Section: Experiments and Simulationmentioning

confidence: 99%

Solid Forms Selection of Spironolactone: Ternary Phase Diagram and Nucleation Process

Dai

Yang

Zhu

et al. 2019

Ind. Eng. Chem. Res.

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The investigation of polymorphism thermodynamic stability and nucleation process of spironolactone was performed to control the final solid forms. Spironolactone–water–acetone ternary phase diagrams were determined in the temperature range of 5.0–45.0 °C. Meanwhile, the nucleation processes were investigated at different supersaturations and different water contents via in situ PVM and PXRD. Results show that the stable form transforms from form II to the hydrate with increasing water content, and the transition point moves toward higher water contents as the temperature increases. Besides, the nucleation of stable form appears away from the eutectic point or at low supersaturation near the eutectic point. Concomitant nucleation occurs at the eutectic point or at high supersaturation near the eutectic point, because of thermodynamic effects or combined effects of thermodynamic and kinetic factors. Molecular dynamics simulation explains the formation of different solid forms in terms of molecular interactions. The results manifest the role of kinetic influences on solid forms control while considering thermodynamic stability.

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