Cargando…

Molecular Simulation of the Adsorption and Diffusion in Cylindrical Nanopores: Effect of Shape and Fluid–Solid Interactions

We report on molecular simulations of model fluids composed of three tangentially bonded Lennard-Jones interaction sites with three distinct morphologies: a flexible “pearl-necklace” chain, a rigid “stiff” linear configuration, and an equilateral rigid triangular ring. The adsorption of these three...

Descripción completa

Detalles Bibliográficos
Autores principales:	Cárdenas, Harry, Müller, Erich A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6384584/ https://www.ncbi.nlm.nih.gov/pubmed/30744108 http://dx.doi.org/10.3390/molecules24030608

Ejemplares similares

Uphill diffusion and overshooting in the adsorption of binary mixtures in nanoporous solids
por: Lauerer, Alexander, et al.
Publicado: (2015)

Macromolecular shape and interactions in layer-by-layer assemblies within cylindrical nanopores
por: Lazzara, Thomas D, et al.
Publicado: (2012)

Conic shapes have higher sensitivity than cylindrical ones in nanopore DNA sequencing
por: Tu, Bin, et al.
Publicado: (2018)

Adsorption and Diffusion of Cisplatin Molecules in Nanoporous Materials: A Molecular Dynamics Study
por: Nejad, Marjan A., et al.
Publicado: (2019)

Nanoporous Films with Oriented Arrays of Molecular Motors for Photoswitching the Guest Adsorption and Diffusion
por: Jiang, Yunzhe, et al.
Publicado: (2022)

Diffusion Tensors of Arbitrary-Shaped Nanoparticles in Fluid by Molecular Dynamics Simulation
por: Zhang, Zi-Tong, et al.
Publicado: (2019)

Molecular self-assembly of nylon-12 nanorods cylindrically confined to nanoporous alumina
por: Cao, Yan, et al.
Publicado: (2014)

Hydroxide Diffusion in Functionalized Cylindrical Nanopores as Idealized Models of Anion Exchange Membrane Environments: An Ab Initio Molecular Dynamics Study
por: Long, Zhuoran, et al.
Publicado: (2023)

The Finite Pore Volume GAB Adsorption Isotherm Model as a Simple Tool to Estimate a Diameter of Cylindrical Nanopores
por: Furmaniak, Sylwester, et al.
Publicado: (2021)

DNA barcode by flossing through a cylindrical nanopore
por: Seth, Swarnadeep, et al.
Publicado: (2021)

Characterization of Methane Excess and Absolute Adsorption in Various Clay Nanopores from Molecular Simulation
por: Tian, Yuanyuan, et al.
Publicado: (2017)

Volume Dependence of Hydrogen Diffusion for Sorption and Desorption Processes in Cylindrical-Shaped Polymers
por: Jung, Jae Kap, et al.
Publicado: (2022)

Cylindrically shaped scintillator counter
Publicado: (1977)

Structure and dynamics of water confined in cylindrical nanopores with varying hydrophobicity
por: Tinti, Antonio, et al.
Publicado: (2021)

Molecular Dynamics Simulation of Polyacrylamide Adsorption on Calcite
por: Hue, Keat Yung, et al.
Publicado: (2023)

Current Flow in a Cylindrical Nanopore with an Object–Implications for Virus Sensing
por: Tajparast, Mohammad, et al.
Publicado: (2022)

Molecular Dynamics Simulation of the Effect of Angle Variation on Water Permeability through Hourglass-Shaped Nanopores
por: Tang, Dai, et al.
Publicado: (2015)

Propane–Water Mixtures Confined within Cylindrical Silica Nanopores: Structural and Dynamical Properties Probed by Molecular Dynamics
por: Le, Tran Thi Bao, et al.
Publicado: (2017)

Use of Boundary-Driven Nonequilibrium Molecular Dynamics for Determining Transport Diffusivities of Multicomponent Mixtures in Nanoporous Materials
por: Fayaz-Torshizi, Maziar, et al.
Publicado: (2022)

Capillary Assembly of Anisotropic Particles at Cylindrical Fluid–Fluid Interfaces
por: Eatson, Jack L., et al.
Publicado: (2023)

A Linear Diffusion Model of Adsorption Kinetics at Fluid/Fluid Interfaces
por: Staszak, Maciej
Publicado: (2016)

Fluid damping of cylindrical liquid storage tanks
por: Habenberger, Joerg
Publicado: (2015)

Physical modeling and geometric shape simulation for one-dimensional flexible objects with cylindrical surface constraints
por: Mei, Yuhang, et al.
Publicado: (2023)

Fluid-solid phase transition of n-alkane mixtures: Coarse-grained molecular dynamics simulations and diffusion-ordered spectroscopy nuclear magnetic resonance
por: Shahruddin, S., et al.
Publicado: (2019)

Impact of Adsorption on Gas Transport in Nanopores
por: Wu, Tianhao, et al.
Publicado: (2016)

A Comprehensive Numerical Model for Simulating Fluid Transport in Nanopores
por: Zhang, Yuan, et al.
Publicado: (2017)

Impact of Water on Methane Adsorption in Nanopores: A Hybrid GCMC-MD Simulation Study
por: Zhou, Ji, et al.
Publicado: (2020)

Spiral magnetic domain structure in cylindrically-shaped microwires
por: Chizhik, A., et al.
Publicado: (2018)

Implementation of a cylindrical distribution function for the analysis of anisotropic molecular dynamics simulations
por: Mandle, Richard J.
Publicado: (2022)

Solid-State Nanopore
por: Yuan, Zhishan, et al.
Publicado: (2018)

Molecular Simulation Study on Adsorption and Diffusion Behaviors of CO(2)/N(2) in Lignite
por: Zhu, Hongqing, et al.
Publicado: (2020)

Solution of the diffusion equation in cylindrical coordinates and comparison with experiments
por: Keil, Eberhard
Publicado: (1971)

Comsolic solution of an elliptic cylindrical compressible fluid flow
por: Hussain, Azad, et al.
Publicado: (2021)

Optimized Cylindrical Diffuser Powers for Interstitial PDT Breast Cancer Treatment Planning: A Simulation Study
por: Ismael, Fatimah S., et al.
Publicado: (2020)

Oil Displacement by the Magnetic Fluid Inside a Cylindrical Sand-Filled Sample: Experiments and Numerical Simulations
por: Dou, Xiaoxiao, et al.
Publicado: (2022)

Fluid-Solid Interaction Simulation Methodology for Coriolis Flowmeter Operation Analysis
por: Shavrina, Evgeniia, et al.
Publicado: (2021)

Molecular insights into competitive adsorption of CO(2)/CH(4) mixture in shale nanopores
por: Zhou, Wenning, et al.
Publicado: (2018)

The Influence of Electric Field Intensity and Particle Length on the Electrokinetic Transport of Cylindrical Particles Passing through Nanopore
por: Shi, Liuyong, et al.
Publicado: (2020)

The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials
por: Witman, Matthew, et al.
Publicado: (2017)

Quasicontinuous Cooperative Adsorption Mechanism in Crystalline Nanoporous Materials
por: Mazur, Bartosz, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_dk1rt11bmmg81i18flc15t3972