4.7 Article

Understanding the structural properties of zeolites for isobutane alkylation based on adsorption/diffusion behaviors

Related references

Note: Only part of the references are listed.
Article Engineering, Chemical

Understanding the zeolites catalyzed isobutane alkylation based on their topology effects on the reactants adsorption

Piao Cao et al.

Summary: In this study, the adsorption properties of zeolites towards isobutane and 1-butene were investigated using CBMC simulations. It was found that the adsorption affinity decreases with the increase of Si/Al ratio, especially for 1-butene. The adsorption capacity depends on the interaction between adsorbents and adsorbates at low pressures, and on the effective void volume at high pressures. A relationship between the adsorption selectivity and catalytic stability was discovered, and BEA-15 and MTW-39 zeolites showed higher selectivity and stability.

CHEMICAL ENGINEERING SCIENCE (2022)

Article Engineering, Chemical

Anomalous diffusion in zeolites

Pan Huang et al.

Summary: This study investigated the anomalous diffusion behaviors of light alkanes in zeolites by combining molecular dynamics simulations with machine learning methods. It identified the largest free sphere as the key factor governing anomalous diffusion phenomena, and proposed a structure-property relationship model for predicting anomalous diffusion trends in porous materials.

CHEMICAL ENGINEERING SCIENCE (2021)

Article Engineering, Chemical

The shape selectivity of zeolites in isobutane alkylation: An investigation using CBMC and MD simulations

Piao Cao et al.

Summary: The study investigated the adsorption and diffusion behaviors of C8 isomers and C9 component as main products of isobutane alkylation catalyzed by zeolites with different topologies. The results showed that the adsorption capacity and molecular diffusion coefficient of zeolites were related to temperature and loading, with catalysts showing high selectivity having larger molecular diffusion coefficients.

CHEMICAL ENGINEERING SCIENCE (2021)

Article Engineering, Environmental

π-Complexation for olefin/paraffin separation using aluminosilicates

A. Luna-Triguero et al.

CHEMICAL ENGINEERING JOURNAL (2020)

Article Engineering, Chemical

Dependence of zeolite topology on alkane diffusion inside diverse channels

Zhiqiang Liu et al.

AICHE JOURNAL (2020)

Article Chemistry, Physical

Isobutane/1-butene Alkylation Performance of Ammonium Fluoride-Modified HUSY Zeolite

Jing Liu et al.

CATALYSIS LETTERS (2020)

Article Engineering, Chemical

Alkylation of Isobutane and 2-Butene in Rotating Packed-Bed Reactors: Using Ionic Liquid and Solid Acid as Catalysts

Ying Liu et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2020)

Article Engineering, Chemical

Isobutane/2-Butene Alkylation Reaction Catalyzed by Cu-Modified and Rare Earth X-Type Zeolite

Honghua Zhang et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2019)

Article Chemistry, Physical

Importance of Blocking Inaccessible Voids on Modeling Zeolite Adsorption: Revisited

Paula Gomez-Alvarez et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2017)

Review Chemistry, Physical

Solid acids: potential catalysts for alkene-isoalkane alkylation

Shailey Singhal et al.

CATALYSIS SCIENCE & TECHNOLOGY (2017)

Article Chemistry, Physical

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

David Dubbeldam et al.

MOLECULAR SIMULATION (2016)

Article Chemistry, Multidisciplinary

Post-Synthesis Stabilization of Germanosilicate Zeolites ITH, IWW, and UTL by Substitution of Ge for Al

Mariya V. Shamzhy et al.

CHEMISTRY-A EUROPEAN JOURNAL (2016)

Article Chemistry, Physical

Why Zeolites Have So Few Seven-Membered Rings

Xi Li et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2014)

Article Multidisciplinary Sciences

Synthesis of an extra-large molecular sieve using proton sponges as organic structure-directing agents

Raquel Martinez-Franco et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2013)

Article Chemistry, Applied

Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials

Thomas F. Willems et al.

MICROPOROUS AND MESOPOROUS MATERIALS (2012)

Article Chemistry, Physical

Dynamical Properties of Alcohol+1-Hexyl-3-methylimidazolium Ionic Liquid Mixtures: A Computer Simulation Study

Trinidad Mendez-Morales et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2011)

Article Engineering, Environmental

Isobutane alkylation with butenes in gas phase

B. O. Dalla Costa et al.

CHEMICAL ENGINEERING JOURNAL (2010)

Article Chemistry, Physical

Adsorption and Diffusion of Water, Methanol, and Ethanol in All-Silica DD3R: Experiments and Simulation

Jelan Kuhn et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2009)

Article Chemistry, Physical

Continuous supercritical iC(4)/C-4(=) alkylation over H-Beta and H-USY Influence of the zeolite structure

A. L. Mota Salinas et al.

APPLIED CATALYSIS A-GENERAL (2008)

Review Chemistry, Multidisciplinary

Molecular simulations of zeolites: Adsorption, diffusion, and shape selectivity

Berend Smit et al.

CHEMICAL REVIEWS (2008)

Article Engineering, Chemical

Adsorption equilibrium of isobutane and 1-butene in zeolite 13X by molecular simulation

Miguel A. Granato et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2008)

Article Chemistry, Multidisciplinary

Molecular dynamics simulation of benzene diffusion in MOF-5: Importance of lattice dynamics

Saeed Amirjalayer et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)

Review Chemistry, Physical

Loading dependence of the diffusion coefficient of methane in nanoporous materials

E. Beerdsen et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Article Engineering, Chemical

Alkylation on solid acids. Part 1. Experimental investigation of catalyst deactivation

JM Martinis et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2006)

Review Chemistry, Multidisciplinary

GROMACS: Fast, flexible, and free

D Van der Spoel et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)

Article Chemistry, Physical

Molecular simulation of alkene adsorption in zeolites

S Jakobtorweihen et al.

MOLECULAR PHYSICS (2005)

Article Chemistry, Multidisciplinary

Understanding the role of sodium during adsorption: A force field for alkanes in sodium-exchanged faujasites

S Calero et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)

Article Chemistry, Physical

United atom force field for alkanes in nanoporous materials

D Dubbeldam et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2004)

Article Chemistry, Physical

On the mechanism of catalyzed isobutane/butene alkylation by zeolites

A Feller et al.

JOURNAL OF CATALYSIS (2004)

Article Chemistry, Physical

Deactivation pathways in zeolite-catalyzed isobutane/butene alkylation

A Feller et al.

JOURNAL OF CATALYSIS (2003)

Article Engineering, Chemical

Deactivation behaviour of the catalyst in solid acid catalyzed alkylation: effect of pore mouth plugging

S Sahebdelfar et al.

CHEMICAL ENGINEERING SCIENCE (2002)