A new determination of group-modified pore size distribution of activated carbon from confined density distribution

Yao Qin, Ling Zhu, Yulin Liu, Yudan Zhu, Xiaohua Lu

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Article number094701
JournalJournal of Chemical Physics
Volume162
Issue number9
DOIs
StatePublished - 7 Mar 2025

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