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- W4280535934 abstract "Additive-controlled crystallization is becoming an increasingly significant approach to controlling crystal morphology. In this study, to better understand the influence mechanism of additive on crystal morphology, 4-(hydroxymethyl) benzoic acid (p-HMBA) crystal crystallization behaviors with poly(vinylpyrrolidone) (PVP) were investigated by combing experiments and molecular simulations. Morphology of p-HMBA was modified from rod to block in the presence of PVP. It was seen that PVP would impede the crystal nucleation and growth. The inhibition effect of PVP on axial direction growth was much stronger than that on the radial direction. Molecular dynamics simulations revealed that the nucleation rate of p-HMBA crystal was inhibited due to the hydrogen-bonding interaction between PVP and p-HMBA molecules. The stronger interaction energy between PVP molecules and the (1 0 1̅) surface than that of the (0 1 0) surface might cause a stronger inhibition effect of PVP on the axial direction, which leads to the decline of the crystal aspect ratio." @default.
- W4280535934 created "2022-05-22" @default.
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- W4280535934 date "2022-05-16" @default.
- W4280535934 modified "2023-10-14" @default.
- W4280535934 title "Unveiling the Role of Additives in Modifying Crystallization Behaviors of 4-(Hydroxymethyl) Benzoic Acid" @default.
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- W4280535934 doi "https://doi.org/10.1021/acs.iecr.2c00733" @default.
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