Growth from Solutions and Surface Properties of Anthracene Crystals

CRYSTALLOGRAPHY REPORTS(2021)

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摘要
The influence of different solvents on the growth of anthracene crystals from solutions and on their morphological quality has been investigated. The dependence of the surface tension of solutions of anthracene in toluene on the anthracene concentration has been determined using the hanging drop method under conditions similar to the crystal growth conditions at the solution–air interface in an atmosphere saturated with solvent and precipitant vapors. The surface energies of the (100), (010), and (001) faces of anthracene crystal are calculated based on the structural data using the OPLS all-atom force field method. The surface energy value σ_001^V at the air interface is estimated experimentally by measuring the contact water-drop wetting angle for the most developed (001) face. The thermodynamic analysis of the nucleation parameters for anthracene crystals at the solution–air interface has been carried out based on the obtained data on the surface energy.
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