Modified BET theory for actual surfaces: implementation of surface curvature

Literature Information

Publication Date 2023-02-16
DOI 10.1039/D2CP05575A
Impact Factor 3.676
Authors

Behnaz Alinaghipour, Cavus Falamaki


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Abstract

The Brauner–Emmett–Teller (BET) theory was originally based on adsorbing surfaces of zero curvature. The theory is elaborated to include a curvature parameter. The theory has been developed for mono-size dense particles (spherical or rod-like) and porous materials with a sharp pore size distribution (spherical or cylindrical pores). Validation was performed considering 62 relevant published results. It is shown that for porous materials with cylindrical pores (15 cases), while the average error in the calculation of the specific surface area using the original BET theory is ca. 46%, that from the modified theory is ca. 11%. For porous materials with spherical pores (20 cases), an average error of 58% (BET theory) is reduced to 15%. To apply the new theory to dense materials, in addition to the probe-gas adsorption isotherm, skeletal density is needed. For meso-porous materials, the curvature parameter is calculated using the BJH theory.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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