Computer Simulation of an Synthetic Ultraviolet Absorbent in the Interface of DMB and DMF
This work studies the aggregation of an synthetic ultraviolet absorbent, named 2-hydroxy-4-perfluoroheptanoate-benzophenone (HPFHBP), in the interface between two solvents which can not completely dissolve each other. The aggregation is studied by computer simulations based on a dynamic density functional method and mean-field interactions, which are implemented in the MesoDyn module and Blend module of Material Studios. The simulation results show that the synthetic ultraviolet absorbent diffuse to the interface phase and the concentration in the interface phase is greater than it in the solvents phase.
Sihai Jiao, Zhengyi Jiang and Jinglong Bu
Q. H. Jiang et al., "Computer Simulation of an Synthetic Ultraviolet Absorbent in the Interface of DMB and DMF", Advanced Materials Research, Vols. 146-147, pp. 966-971, 2011