Modeling and prediction of crystal growth for vitamin C

A program was built to calculate the interaction energy between molecules in crystal, and to predict crystal growth for vitamin C based on the attachment energy model. According to the calculated attachment energy, it can be known that face (100) is the most important crystal face and grows the slowest, followed by face (010) and (001). The growth rate ratio is equal to the ratio of face attachment energies and the crystal habit of vitamin C is often to be plate. The difference between calculation and experimental results was discussed. From the calculated interaction data some information about the effect of crystal structure on crystal growth and crystal habit can be known