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Article Highlighting New NLDFT Model

Scientific Article by Micromeritics Scientists Highlighting New NLDFT Model Published in the Journal of Physical Chemistry - 11/09/2009

A scientific article titled, “A Simple Two-Dimensional NLDFT Model of Gas Adsorption in Finite Carbon Pores. Application to Pore Structure Analysis” (1), co-authored by Dr. Jacek Jagiello and Dr. James P. Olivier has recently been published in the Journal of Physical Chemistry C. A carbon slit pore model based on graphene sheet walls of finite dimensions was used in their work. This model is a two-dimensional modification of the widely used one-dimensional pore model that assumes graphite-like, infinitely extended pore walls. Heterogeneity of the adsorption potential, most strongly pronounced near the edges of pore walls, is introduced by this more realistic assumption. These energetically heterogeneous pores fill with adsorbate more gradually than homogeneous pores. As a result, the calculated adsorption isotherms are smoother and less steep for the finite versus the infinite pore model.

Dr. Jacek Jagiello has spent most of his professional life working on adsorption phenomena and studying adsorption properties of non-porous and porous materials - with special interest in understanding and characterization of activated carbons. He received his Doctorate in Chemistry at M. Curie-Sklodowska University, Lublin, Poland (1984) working under supervision of Prof. W. Rudzinski on the thermodynamics of physical adsorption on heterogeneous surfaces. Dr. Jagiello has authored and co-authored more than 90 scientific publications including two book chapters, more than 30 presentations at international conferences, and four U.S. patents. He joined Micromeritics in 2008.

Dr. James Olivier obtained his Ph.D. from Rensselaer Polytechnic Institute, Troy, NY (1959), majoring in Colloid Science under Dr. Sidney Ross. With Ross, he co-authored several papers on the theory of physical adsorption as well as the book “On Physical Adsorption,” published in 1964. Dr. Olivier holds 14 significant patents in minerals beneficiation and particle measurement techniques. He has published extensively on topics in physical adsorption, colloidal dispersions and electrokinetic effects, and particle size and shape relationships.

(1) Click here to view abstract

 

Facts about the Development of Density Functional Theory (DFT) Applied to the Adsorption Isotherm
A Brief History of Density Functional Theory Applied to Extracting Information from the Physical Adsorption Isotherm
Link to DFT Bibliography