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Free Energy Formalism for Particle Adsorption [PDF]

Physical Review E, 2005
The equilibrium properties of particles adsorption is investigated theoretically. The model relies on a free energy formulation which allows to generalize the Maxwell-Boltzmann description to solutions for which the bulk volume fraction of potentially ...
Gosselin, Pierre, Mohrbach, Herve
core   +6 more sources

Adsorption energy

Chemical Thermodynamics and Thermal Analysis
Miguel Gonzalo Arenas-Quevedo, Jesús Gracia-Fadrique, José Luis López-Cervantes   +2 more
doaj   +2 more sources

Adsorption Energy in Oxygen Electrocatalysis

Chemical Reviews, 2022
Adsorption energy (AE) of reactive intermediate is currently the most important descriptor for electrochemical reactions (e.g., water electrolysis, hydrogen fuel cell, electrochemical nitrogen fixation, electrochemical carbon dioxide reduction, etc.), which can bridge the gap between catalyst's structure and activity.
Junming Zhang, Hong Bin Yang, Daojin Zhou, Bin Liu   +3 more
openaire   +3 more sources

A Universal Mathematical Methodology in Characterization of Materials for Tailored Design of Porous Surfaces

Frontiers in Chemistry, 2021
Understanding adsorption phenomena is essential to optimize and customize the energy transformation in numerous industrial and environmental processes.
Muhammad Burhan, Faheem Hassan Akhtar, Qian Chen, Muhammad Wakil Shahzad, Doskhan Ybyraiymkul, Kim Choon Ng   +5 more
doaj   +1 more source

Borophene and Pristine Graphene 2D Sheets as Potential Surfaces for the Adsorption of Electron-Rich and Electron-Deficient π-Systems: A Comparative DFT Study

Nanomaterials, 2022
The versatility of striped borophene (sB), β12 borophene (β12), and pristine graphene (GN) to adsorb π-systems was comparatively assessed using benzene (BNZ) and hexafluorobenzene (HFB) as electron-rich and electron-deficient aromatic π-systems ...
Mahmoud A. A. Ibrahim, Amna H. M. Mahmoud, Kamal A. Soliman, Gamal A. H. Mekhemer, Muhammad Naeem Ahmed, Ahmed M. Shawky, Mohammed A. S. Abourehab, Eslam B. Elkaeed, Mahmoud E. S. Soliman, Nayra A. M. Moussa   +9 more
doaj   +1 more source

Drug-Molecule Adsorption onto Silicon-Doped Fullerene: A Density Functional Theory Study

Indonesian Journal of Chemistry, 2023
Density functional theory calculations were performed to study the interactions between the host material Si-doped fullerene and the drug molecules paracetamol, a pain and fever reducer, and hydroxyurea, a drug for leukemic treatment.
Yosephine Novita Apriati, Bambang Kristiawan, Nikmatul Jannah, Ari Dwi Nugraheni, Sholihun Sholihun   +4 more
doaj   +1 more source

An Insight into the Efficient Dimethoate Adsorption on Graphene-Based Materials—A Combined Experimental and DFT Study

Applied Sciences, 2021
(1) Background: The development of highly efficient methods for removing hazardous substances from the environment attracts increasing attention. Understanding the basic principles of the removal processes using graphene materials is equally essential to
Vladan J. Anićijević, Tamara D. Lazarević-Pašti, Vesna M. Vasić, Dragana D. Vasić Anićijević   +3 more
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Theory study of H2O adsorbed TiO2 (110) surface: structural and electronic properties [PDF]

MATEC Web of Conferences, 2022
There are three main crystal forms of TiO2 in nature: rutile, anatase and brookite. In this paper, the GGA-PBE method of density functional theory was used to study the H2O molecules adsorbed (110) surface of these three kinds of titanium dioxide.
Zhong Siying, Wu Shaoyi, Chen Xiaohong, Xu Kailai   +3 more
doaj   +1 more source

Low-energy adsorptive separation by zeolites

National Science Review, 2022
Abstract Separation of mixture is always necessarily required in modern industry, especially in fine chemical, petrochemical, coal chemical and pharmaceutical industries. The challenge of the separation process is usually associated with small molecules with very similar physical and chemical properties.
Bai, Ruobing, Song, Xiaowei, Yan, Wenfu, Yu, Jihong   +3 more
openaire   +2 more sources

Characterization of Raw and Treated Calotropis Gigantea Fibers: Application to the Adsorption of Methylene Blue Dye

Journal of Natural Fibers, 2023
The present paper focuses on the valorization of raw and treated Calotropis gigantea fibers as a natural and low-cost biosorbent for methylene blue.
Hafedh Belmabrouk, Rahma Ayed Brahem, Mahjoub Jabli, Yassine El-Ghoul, Fahad M. Alminderej, Thamer Alharbi   +5 more
doaj   +1 more source