Yao Qin, Ling Zhu, Yulin Liu, Yudan Zhu, Xiaohua Lu
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Abstract
The two-distribution model is developed to determine the group-modified pore size distribution (PSD) of activated carbon, where the PSD is modified by the group distribution. This model assumes an ensemble composed of the elementary confined density distribution for fluids and the group-modified PSD for activated carbon. The group-modified PSD is derived by fitting the theoretical adsorption, calculated using the two-distribution model with grand canonical Monte Carlo simulation-dependent kernels of the N2 isotherm at 77.4 K and a single CO2 adsorption data point at 273.0 K, to experimental adsorption data for activated carbon. The group-modified PSD is validated against adsorption data for seven fluids on various activated carbons. In this analysis, the adsorption isotherms calculated using the two-distribution model with PSD, homogeneous group-modified PSD, and inhomogeneous group-modified PSD are compared and evaluated. The results show that the two-distribution model accurately interprets the group-modified PSD.
期刊介绍：
The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance.
Topical coverage includes:
Theoretical Methods and Algorithms
Advanced Experimental Techniques
Atoms, Molecules, and Clusters
Liquids, Glasses, and Crystals
Surfaces, Interfaces, and Materials
Polymers and Soft Matter
Biological Molecules and Networks.
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