Abstract The theoretic crystal habit of hydroquinone in vacuum has been predicted by BFDH and AE model according to the single crystal structure of hydroquinone. The interactions between the water molecules and a series of crystal surfaces were obtained by molecular dynamics simulation, then the crystal habit of hydroquinone in aqueous solution was simulated by modified AE model and the result was coincide with the crystal morphology observed.
CHEN Wei, WANG Jing-kang, YIN Qiu-xiang, LI Xiao-na, ZHANG Chao.Computer Modeling of the Solvent Effect on Hydroquinone Crystal Habit[J] Chemcial Industry and Engineering, 2005,V22(4): 251-254
2005, Vol. 22 
