Acta Phys. -Chim. Sin. ›› 2004, Vol. 20 ›› Issue (11): 1303-1307.doi: 10.3866/PKU.WHXB20041104

• ARTICLE • Previous Articles     Next Articles

Determination of Pore Size Distribution of Silica Hollow Microspheres by Experiment and Simulation

Le Yuan; Chen Jian-Feng; Wang Wen-Chuan   

  1. Research Center of the Ministry of Education for High Gravity Engineering and Technology; Key Laboratory for Nanomaterials, Ministry of Education, Beijing University of Chemical Technology, Beijing 10002
  • Received:2004-03-12 Revised:2004-06-02 Published:2004-11-15
  • Contact: Chen Jian-Feng

Abstract: Grand canonical Monte Carlo (GCMC) simulation and statistics integral equation (SIE) have been used to determine the pore size distribution (PSD) of the silica hollow microspheres (SHMS).HRTEM, XRD and nitrogen adsorption results indicate the occurrence of disordered mesopores on the shells of SHMS. In the simulation, the SHMS have been modeled as cylindrical pore with pore size distribution according to the experimental data. The nitrogen is considered as Lennard-Jones (LJ) spherical molecule. The completely analytical potential model proposed by Wang[10] recently is applied to represent the interactions between the atoms inside the wall and the fluid molecules. The calculated results show that the simulated PSD data are in good agreement with the experimental date, which means that the proposed model for the SHMS is reliable and the combined method of GCMC and SIE is powerful for evaluation of the PSD of the silica hollow spheres.

Key words: Silica hollow microspheres,  Grand canonical Monte Carlo simulation,  Completely analytical potential model,  Statistics integral equation(SIE),  Pore size distribution(PSD)