1-20 of 335
Adsorption isotherm
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

Thermodynamic calculations using reverse Monte Carlo: Simultaneously tuning multiple short-range order parameters for 2D lattice adsorption problem

Suhail Haque, Abhijit Chatterjee
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 104106 (2023)
https://doi.org/10.1063/5.0165182
Published: September 2023
View article titled, Thermodynamic calculations using reverse Monte Carlo: Simultaneously tuning multiple short-range order parameters for 2D lattice adsorption problem
Open the PDF for Thermodynamic calculations using reverse Monte Carlo: Simultaneously tuning multiple short-range order parameters for 2D lattice adsorption problem in another window
Journal Articles

Carbonized titanium dioxide with good adsorption properties for cationic dyes via simple heat treatment

Maoliang Huang, Hongwei Wang, Yue Xiao, Kang Li
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 224702 (2023)
https://doi.org/10.1063/5.0146751
Published: June 2023
View article titled, Carbonized titanium dioxide with good adsorption properties for cationic dyes via simple heat treatment
Open the PDF for Carbonized titanium dioxide with good adsorption properties for cationic dyes via simple heat treatment in another window
Includes: Supplementary data
Journal Articles

Experimental examination of the phase transition of water on silica at 298 K

Sepehr Saber, Nagarajan Narayanaswamy, C. A. Ward, Janet A. W. Elliott
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 204712 (2023)
https://doi.org/10.1063/5.0145932
Published: May 2023
View article titled, Experimental examination of the phase transition of water on silica at 298 K
Open the PDF for Experimental examination of the phase transition of water on silica at 298 K in another window
Journal Articles

Computing chemical potentials of adsorbed or confined fluids

Rochus Schmid, Bingqing Cheng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 161101 (2023)
https://doi.org/10.1063/5.0146711
Published: April 2023
View article titled, Computing chemical potentials of adsorbed or confined fluids
Open the PDF for Computing chemical potentials of adsorbed or confined fluids in another window
Includes: Supplementary data
Journal Articles

Microscopic theory of adsorption kinetics

Yuval Scher, Ofek Lauber Bonomo, Arnab Pal, Shlomi Reuveni
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 094107 (2023)
https://doi.org/10.1063/5.0121359
Published: March 2023
View article titled, Microscopic theory of adsorption kinetics
Open the PDF for Microscopic theory of adsorption kinetics in another window
Journal Articles

Ensemble inequivalence and negative extensibility in a strongly stretched wormlike chain with fluctuating bending stiffness

Panayotis Benetatos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 164112 (2022)
https://doi.org/10.1063/5.0112552
Published: October 2022
View article titled, Ensemble inequivalence and negative extensibility in a strongly stretched wormlike chain with fluctuating bending stiffness
Open the PDF for Ensemble inequivalence and negative extensibility in a strongly stretched wormlike chain with fluctuating bending stiffness in another window
Journal Articles

Interfacial properties of binary azeotropic mixtures of simple fluids: Molecular dynamics simulation and density gradient theory

Jens Staubach, Simon Stephan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 124702 (2022)
https://doi.org/10.1063/5.0100728
Published: September 2022
View article titled, Interfacial properties of binary azeotropic mixtures of simple fluids: Molecular dynamics simulation and density gradient theory
Open the PDF for Interfacial properties of binary azeotropic mixtures of simple fluids: Molecular dynamics simulation and density gradient theory in another window
Includes: Supplementary data
Journal Articles

Simulation of surfactant adsorption at liquid–liquid interface: What we may expect from soft-core models?

Bruna F. Faria, Aleksey M. Vishnyakov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 094706 (2022)
https://doi.org/10.1063/5.0087363
Published: September 2022
View article titled, Simulation of surfactant adsorption at liquid–liquid interface: What we may expect from soft-core models?
Open the PDF for Simulation of surfactant adsorption at liquid–liquid interface: What we may expect from soft-core models? in another window
Includes: Supplementary data
Journal Articles

Effect of solid support and membrane tension on adsorption and lateral interaction of amphipathic peptides

Oleg V. Kondrashov, Sergey A. Akimov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 074902 (2022)
https://doi.org/10.1063/5.0096536
Published: August 2022
View article titled, Effect of solid support and membrane tension on adsorption and lateral interaction of amphipathic peptides
Open the PDF for Effect of solid support and membrane tension on adsorption and lateral interaction of amphipathic peptides in another window
Journal Articles

Adsorption of C2–C5 alcohols on ice: A grand canonical Monte Carlo simulation study

Julien Joliat, Sylvain Picaud, Antoine Patt, Pal Jedlovszky
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 224702 (2022)
https://doi.org/10.1063/5.0096013
Published: June 2022
View article titled, Adsorption of C2–C5 alcohols on ice: A grand canonical Monte Carlo simulation study
Open the PDF for Adsorption of C2–C5 alcohols on ice: A grand canonical Monte Carlo simulation study in another window
Journal Articles

Computer simulation investigation of the adsorption of acetamide on low density amorphous ice. An astrochemical perspective

Mirjam Balbisi, Réka A. Horváth, Milán Szőri, Pál Jedlovszky
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 184703 (2022)
https://doi.org/10.1063/5.0093561
Published: May 2022
View article titled, Computer simulation investigation of the adsorption of acetamide on low density amorphous ice. An astrochemical perspective
Open the PDF for Computer simulation investigation of the adsorption of acetamide on low density amorphous ice. An astrochemical perspective in another window
Journal Articles

Explaining the structure sensitivity of Pt and Rh for aqueous-phase hydrogenation of phenol

Isaiah Barth, James Akinola, Jonathan Lee, Oliver Y. Gutiérrez, Udishnu Sanyal, Nirala Singh, Bryan R. Goldsmith
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 104703 (2022)
https://doi.org/10.1063/5.0085298
Published: March 2022
View article titled, Explaining the structure sensitivity of Pt and Rh for aqueous-phase hydrogenation of phenol
Open the PDF for Explaining the structure sensitivity of Pt and Rh for aqueous-phase hydrogenation of phenol in another window
Includes: Supplementary data
Journal Articles

On the thermodynamics of hydrogen adsorption over Pt(111) in 0.05M NaOH

Luis E. Botello, V. Climent, J. M. Feliu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 244704 (2021)
https://doi.org/10.1063/5.0073313
Published: December 2021
View article titled, On the thermodynamics of hydrogen adsorption over Pt(111) in 0.05M NaOH
Open the PDF for On the thermodynamics of hydrogen adsorption over Pt(111) in 0.05M NaOH in another window
Journal Articles

Vapor sorption in binary polymer brushes: The effect of the polymer–polymer interface

Leon A. Smook, Guido C. Ritsema van Eck, Sissi de Beer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 054904 (2021)
https://doi.org/10.1063/5.0057065
Published: August 2021
View article titled, Vapor sorption in binary polymer brushes: The effect of the polymer–polymer interface
Open the PDF for Vapor sorption in binary polymer brushes: The effect of the polymer–polymer interface in another window
Includes: Supplementary data
Journal Articles

Cisplatin uptake and release in pH sensitive zeolitic imidazole frameworks

Megan J. Thompson, Stephen A. Wells, Tina Düren
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 244703 (2021)
https://doi.org/10.1063/5.0046054
Published: June 2021
View article titled, Cisplatin uptake and release in pH sensitive zeolitic imidazole frameworks
Open the PDF for Cisplatin uptake and release in pH sensitive zeolitic imidazole frameworks in another window
Includes: Supplementary data
Journal Articles

Effect of ionic liquids in carbon nanotube bundles on CO2, H2S, and N2 separation from CH4: A computational study

Behnoush Barzegar, Farzaneh Feyzi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 194504 (2021)
https://doi.org/10.1063/5.0050230
Published: May 2021
View article titled, Effect of ionic liquids in carbon nanotube bundles on CO<sub>2</sub>, H<sub>2</sub>S, and N<sub>2</sub> separation from CH<sub>4</sub>: A computational study
Open the PDF for Effect of ionic liquids in carbon nanotube bundles on CO<sub>2</sub>, H<sub>2</sub>S, and N<sub>2</sub> separation from CH<sub>4</sub>: A computational study in another window
Includes: Supplementary data
Journal Articles

Dynamics of heterogeneous wetting in periodic hybrid nanopores

C. Picard, V. Gérard, L. Michel, X. Cattoën, E. Charlaix
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 164710 (2021)
https://doi.org/10.1063/5.0044391
Published: April 2021
View article titled, Dynamics of heterogeneous wetting in periodic hybrid nanopores
Open the PDF for Dynamics of heterogeneous wetting in periodic hybrid nanopores in another window
Journal Articles

A grid-free approach for simulating sweep and cyclic voltammetry

Alec J. Coffman, Jianfeng Lu, Joseph E. Subotnik
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 161101 (2021)
https://doi.org/10.1063/5.0044156
Published: April 2021
View article titled, A grid-free approach for simulating sweep and cyclic voltammetry
Open the PDF for A grid-free approach for simulating sweep and cyclic voltammetry in another window
Journal Articles

Quantifying the effect of polar interactions on the behavior of binary mixtures: Phase, interfacial, and excess properties

Ismail I. I. Alkhatib, Lourdes F. Vega
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 164503 (2021)
https://doi.org/10.1063/5.0046034
Published: April 2021
View article titled, Quantifying the effect of polar interactions on the behavior of binary mixtures: Phase, interfacial, and excess properties
Open the PDF for Quantifying the effect of polar interactions on the behavior of binary mixtures: Phase, interfacial, and excess properties in another window
Includes: Supplementary data
Journal Articles

Molecular dynamics study of water confined in MIL-101 metal–organic frameworks

Shubo Fei, Wei-Lun Hsu, Jean-Jacques Delaunay, Hirofumi Daiguji
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 144503 (2021)
https://doi.org/10.1063/5.0040909
Published: April 2021
View article titled, Molecular dynamics study of water confined in MIL-101 metal–organic frameworks
Open the PDF for Molecular dynamics study of water confined in MIL-101 metal–organic frameworks in another window
Includes: Supplementary data