Self-diffusivities in multicomponent mixtures in zeolites

Literature Information

Publication Date 2002-04-15
DOI 10.1039/B200612J
Impact Factor 3.676
Authors


View Original

Abstract

Using the Maxwell–Stefan formulation for diffusion in zeolites as a basis, we develop a general analytic expression for the self-diffusivity of a component in a multicomponent mixture. Correlation effects are accounted for by the introduction of particle–particle “exchange” coefficients. Various formulae for estimation of these exchange coefficients have been postulated. The developed procedure for estimation of the self-diffusivity is verified by comparison with kinetic Monte Carlo simulations for binary and ternary mixtures in MFI zeolite and in a square lattice. Additional verification of the analytic model is obtained using published molecular dynamics simulations and experimental data.

Related Literature

Methods for the regeneration of nicotinamidecoenzymes

Hong Wu, Chunyong Tian, Xiaokai Song, Chuang Liu, Dong Yang, Zhongyi Jiang

2013-04-03 Critical Review

DOI: 10.1039/C3GC37129H

Photoassisted synthesis of manganese oxide nanostructures using visible light at room temperature

Lavinia Balan, Loïc Vidal

2013-06-11 Paper

DOI: 10.1039/C3GC40487K

Base initiated depolymerization of polycarbonates to epoxide and carbon dioxide co-monomers: a computational study

Donald J. Darensbourg, Andrew D. Yeung, Sheng-Hsuan Wei

2013-04-09 Paper

DOI: 10.1039/C3GC40475G

Iodine-mediated arylation of benzoxazoles with aldehydes

Yew Chin Teo, Siti Nurhanna Riduan, Yugen Zhang

2013-06-28 Communication

DOI: 10.1039/C3GC41027G

On the solubility of wood in non-derivatising ionic liquids

Lasse Kyllönen, Arno Parviainen, Somdatta Deb, Martin Lawoko, Mikhail Gorlov, Ilkka Kilpeläinen, Alistair W. T. King

2013-07-11 Communication

DOI: 10.1039/C3GC41273C

Rhodium-catalyzed hydrogenation of olefins in γ-valerolactone-based ionic liquids

Andrea Strádi, Márk Molnár, Mihály Óvári, Gábor Dibó, Frank U. Richter, László T. Mika

2013-05-13 Communication

DOI: 10.1039/C3GC40360B

Photocatalysis on supported gold and silver nanoparticles under ultraviolet and visible light irradiation

Sarina Sarina, Eric R. Waclawik, Huaiyong Zhu

2013-05-10 Tutorial Review

DOI: 10.1039/C3GC40450A

Comparative performance evaluation and systematic screening of solvents in a range of Grignard reactions

Asha Kadam, Mylinh Nguyen, Michael Kopach, Paul Richardson, Fabrice Gallou, Zhao-Kui Wan, Wei Zhang

2013-05-03 Paper

DOI: 10.1039/C3GC40702K

Highly efficient iron(0) nanoparticle-catalyzed hydrogenation in water in flow

Go Hamasaka, Takao Osako, Yoichi M. A. Yamada, Chao-Jun Li, Audrey Moores

2013-06-27 Paper

DOI: 10.1039/C3GC40789F

You might also like

Compound Q&A

What precautions should be taken when handling 4-Methyl-6-(trifluoromethyl)quinoline (CAS: 40716-16-3)?

When handling 4-Methyl-6-(trifluoromethyl)quinoline (CAS: 40716-16-3), safety go...

40716-16-34-Methyl-6-(trifluor...
Compound Q&A

What is 4-(3,5-Difluorophenyl)aniline (CAS: 405058-00-6)?

4-(3,5-Difluorophenyl)aniline is an aromatic organic compound with the CAS numbe...

405058-00-64-(3,5-Difluoropheny...
Compound Q&A

How is 5-{[4-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylic acid (CAS: 338982-07-3) typically synthesized?

5-{[4-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylic acid can ...

338982-07-35-{[4-(Trifluorometh...
Compound Q&A

What is the market or research trend for 4-Benzylaniline hydrochloride (CAS: 6317-57-3)?

The market for 4-Benzylaniline hydrochloride (CAS: 6317-57-3) is steadily growin...

6317-57-34-Benzylaniline hydr...
Compound Q&A

Is [3-(Diethylsulfamoyl)phenyl]boronic acid (CAS: 871329-58-7) safe?

[3-(Diethylsulfamoyl)phenyl]boronic acid is generally considered safe when handl...

871329-58-7[3-(Diethylsulfamoyl...
Compound Q&A

What are the main uses of 3-Bromo-2,5-dimethoxyaniline (CAS: 115929-62-9)?

3-Bromo-2,5-dimethoxyaniline is mainly used in the pharmaceutical and chemical i...

115929-62-93-Bromo-2,5-dimethox...
Compound Q&A

What regulatory guidelines apply to N-Methyl-1-(5-methyl-1H-indol-3-yl)methanamine (CAS: 915922-67-7)?

N-Methyl-1-(5-methyl-1H-indol-3-yl)methanamine (CAS: 915922-67-7) is subject to ...

915922-67-7N-Methyl-1-(5-methyl...
Compound Q&A

What industries use Carbamic acid, N-[(5S)-5,6-diamino-6-oxohexyl]-, 1,1-dimethylethyl ester (CAS: 24828-96-4)?

This compound is primarily used in the pharmaceutical industry for the synthesis...

24828-96-4Carbamic acid, N-[(5...
Compound Q&A

How should 2-Methyl-2-propanyl [(1S,3R)-3-aminocyclohexyl]carbamate (CAS: 1298101-47-9) be stored?

2-Methyl-2-propanyl [(1S,3R)-3-aminocyclohexyl]carbamate (CAS: 1298101-47-9) sho...

1298101-47-92-Methyl-2-propanyl ...
Compound Q&A

What industries use Ethyl 2-bromo-4,4,4-trifluorobutanoate (CAS: 367-33-9)?

Ethyl 2-bromo-4,4,4-trifluorobutanoate (CAS: 367-33-9) is utilized in the pharma...

367-33-9Ethyl 2-bromo-4,4,4-...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.