engleski

On the molar volume of multicomponent crystals

Pressure is an important, but often overlooked variable in soft solid-state science. Even though static[1] and shock[2] phase behavior is known for some pure compounds, knowledge about pressure dependence of solid-state reactions is practically non-existent. In this work, theoretical pressure dependence for formation of binary cocrystals from its components is explored, using Cambridge Structural Database[3] as a data source. Interestingly, distribution of reaction molar volume is not quite symmetrical, with more entries having molar volume greater than sum of molar volumes of its components. This suggests that higher pressure would usually work against cocrystallization. Structural correlation, extreme cases and potential of “pressure-only” synthesis are presented.

molar volume ; multicomponent crystals

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