The interaction between amorphous silicon dioxide (SiO2) with surface (100) and mixture of glycerol and 1,6-hexanediol was simulated with periodic boundary conditions using the method of molecular dynamics. The properties of silicon dioxide depend on polarity of the groups of the surface. The simulation was respectively calculated that silicon dioxide surface with all silanol groups (Si-OH bonds) or all Si-O bonds interacts with hydroxyl of mixture of glycerol and 1,6-hexanediol in the paper. The results show that the peak of radial distribution function of hydroxyl of mixture on silicon dioxide surface with Si-O bonds is higher than that of the hydroxyl of the mixture on the surface with Si-OH bonds. And self-diffusion coefficient of hydroxyl of the mixture on the surface with the Si-O bonds was smaller than that of hydroxyl of the mixture on the surface with the Si-OH bonds. Interaction energy of silicon dioxide surface with Si-O bonds and the mixture is stronger than that of silicon dioxide surface with Si-O bonds and the mixture at different temperature respectively.

The flow field of the traditional inner loop biological fluidized bed reactor (ILBFBR) and a new biological fluidized bed reactor set ring-type baffle was calculated by computational fluid dynamics. The results show that the gas holdup of drop zone in ILBFBR set the ring-type baffle can increase significantly, the flow rate of drop zone in ILBFBR with the ring-type baffle is faster than that in traditional ILBFBR, and turbulence intensity distributed more evenly all in rising zone and drop zone in ILBFBR set the ring-type baffle than that in traditional ILBFBR, but static pressure difference of ILBFBR set ring-type baffle is higher than that of the traditional ILBFBR.