X.F. Guan¹, X. Liu², J.Z. Cui³

CMES-Computer Modeling in Engineering & Sciences, Vol.91, No.6, pp. 425-444, 2013, DOI:10.3970/cmes.2013.091.425

Abstract In this paper, a stochastic geometrical modeling method for reconstructing three dimensional multiscale pore structures of porous materials is presented. In this method, the pore structure in porous materials is represented by a random but spatially correlated pore-network, in which the results of the Mercury Intrusion Porosimetry (MIP) experiment are used as the basic input information. Beside that, based on the Monte Carlo techniques, an effective computer generation algorithm is developed, and the quantities to evaluate the properties of porous materials are defined and described. Furthermore, numerical implementations are conducted based on experimental data afterwards. This method can be used… More >

Zhen Yang¹, Xingsheng Gu², Xiaoyi Liang^1,3

CMES-Computer Modeling in Engineering & Sciences, Vol.74, No.3&4, pp. 161-182, 2011, DOI:10.3970/cmes.2011.074.161

Abstract Mesoporous carbons are synthesized by organic-organic self-assembly of triblock copolymer F127 and a new type of carbon precursor as resorcinol-furfural oligomers. Some factors will impact the mesoporous carbons pore structure and properties were studied. The main factors, such as the ratio of triblock copolymer F127 and oligomers, degree of polymerizstry of resorcinol-furfural oligomers, the ratio of resorcinol-furfural oligomers - F/R, and their mutual relations were identified. Aimed at balancing the complex characteristic of mesoporous structure and adsorption properties, a classification and optimization model based on support vector machine is developed. The optimal operation conditions of Barret-Joyner-Halenda (BJH) adsorption cumulative volume… More >