Results 1 to 10 of about 236,738 (314)
Heat of adsorption, adsorption energy and activation energy in adsorption and ion exchange systems [PDF]
Desalination and Water Treatment, 2012 Abstract The heat of adsorption, the adsorption energy and the activation energy are of the most important and frequently calculated parameters in adsorption and ion exchange systems. However, in many occasions these parameters are not clearly defined, appropriate calculated or analyzed in the related literature.
Vassilis J Inglezakis, Antonis A Zorpas
exaly +5 more sources
Adsorption energy as a metric for wettability at the nanoscale. [PDF]
Sci Rep, 2017 AbstractWettability is the affinity of a liquid for a solid surface. For energetic reasons, macroscopic drops of liquid form nearly spherical caps. The degree of wettability is then captured by the contact angle where the liquid-vapor interface meets the solid-liquid interface.
Giro R +4 more
europepmc +4 more sources
Chemical Thermodynamics and Thermal AnalysisMiguel Gonzalo Arenas-Quevedo +2 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 +3 more
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Sensors, 2022 Rapid and accurate detection of lethal volatile compounds is an emerging requirement to ensure the security of the current and future society. Since the threats are becoming more complex, the assurance of future sensing devices’ performance can be ...
Paulina Powroźnik +5 more
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Formaldehyde Molecules Adsorption on Zn Doped Monolayer MoS2: A First-Principles Calculation
Frontiers in Chemistry, 2021 Based on the first principles of density functional theory, the adsorption behavior of H2CO on original monolayer MoS2 and Zn doped monolayer MoS2 was studied.
Huili Li +10 more
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Free-energy formalism for particle adsorption [PDF]
Physical Review E, 2005 to be published in Physical Review ...
Gosselin, Pierre, Mohrbach, Herve
openaire +4 more sources
C-57 nanotube: electronic, optical, and mechanical properties by DFT calculations
Materials Research Express, 2023 Electronic, optical, and mechanical properties of single-walled C-57 carbon nanotube have been investigated within the framework of density functional theory (DFT). It was found that for the nanotube, there is a direct relationship between its radius and
Mohammad Asadpour, Mahmoud Jafari
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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 +3 more
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Effect of Nitrogen on the Growth of (100)-, (110)-, and (111)-Oriented Diamond Films
Applied Sciences, 2020 The aim of this research is the study of hydrogen abstraction reactions and methyl adsorption reactions on the surfaces of (100), (110), and (111) oriented nitrogen-doped diamond through first-principles density-functional calculations.
Jen-Chuan Tung +3 more
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