Structures and dynamics of alkali ion-exchanged ZSM-5 as investigated by molecular dynamics and computer graphics

A. Miyamoto; K. Matsuba; Momoji Kubo; T. Inui; K. Kawamura

Structures and dynamics of alkali ion-exchanged ZSM-5 as investigated by molecular dynamics and computer graphics

A. Miyamoto, K. Matsuba, Momoji Kubo, T. Inui, K. Kawamura

New Industry Creation Hatchery Center (NICHe)

Research output: Contribution to journal › Conference article › peer-review

Abstract

Much attention has recently been given to ion-exchanged zeolites in relation to their application as catalysts, adsorbents, and various functional materials. Molten dynamics (MD) has been widely applied for understanding the structure and physical properties of various substances including simple liquids, water, molten sales, liquid metals, glasses, and proteins, but it was scarcelly applied to the simulations of zeolite structure. The objective of the present study was to demonstrate the applicability of the MD method coupled with computer graphics (CG) techniques for estimating the position of cations in alkali ion-exchanged ZSM-5. Ion-exchanged ZSM-5 was selected because of its importance in various catalytic reactions. It should also be noted that experimental determination of cation positions is not easy for ZSM-5 because of the small number of ion-exchange sites.

Original language	English
Pages (from-to)	658-662
Number of pages	5
Journal	American Chemical Society, Division of Petroleum Chemistry, Preprints
Volume	37
Issue number	2
Publication status	Published - 1992 Mar 1
Event	Symposium on Molecular Modeling of Petroleum Processes and Catalysis - San Francisco, CA, USA Duration: 1992 Apr 5 → 1992 Apr 10

ASJC Scopus subject areas

Fuel Technology

Fingerprint Dive into the research topics of 'Structures and dynamics of alkali ion-exchanged ZSM-5 as investigated by molecular dynamics and computer graphics'. Together they form a unique fingerprint.

Cite this

Structures and dynamics of alkali ion-exchanged ZSM-5 as investigated by molecular dynamics and computer graphics. / Miyamoto, A.; Matsuba, K.; Kubo, Momoji; Inui, T.; Kawamura, K.

In: American Chemical Society, Division of Petroleum Chemistry, Preprints, Vol. 37, No. 2, 01.03.1992, p. 658-662.

Research output: Contribution to journal › Conference article › peer-review

@article{f581505bebf24c298822b1cf775c1d8f,

title = "Structures and dynamics of alkali ion-exchanged ZSM-5 as investigated by molecular dynamics and computer graphics",

abstract = "Much attention has recently been given to ion-exchanged zeolites in relation to their application as catalysts, adsorbents, and various functional materials. Molten dynamics (MD) has been widely applied for understanding the structure and physical properties of various substances including simple liquids, water, molten sales, liquid metals, glasses, and proteins, but it was scarcelly applied to the simulations of zeolite structure. The objective of the present study was to demonstrate the applicability of the MD method coupled with computer graphics (CG) techniques for estimating the position of cations in alkali ion-exchanged ZSM-5. Ion-exchanged ZSM-5 was selected because of its importance in various catalytic reactions. It should also be noted that experimental determination of cation positions is not easy for ZSM-5 because of the small number of ion-exchange sites.",

author = "A. Miyamoto and K. Matsuba and Momoji Kubo and T. Inui and K. Kawamura",

year = "1992",

month = mar,

day = "1",

language = "English",

volume = "37",

pages = "658--662",

journal = "American Chemical Society, Division of Petroleum Chemistry, Preprints",

issn = "0569-3799",

publisher = "American Chemical Society",

number = "2",

note = "Symposium on Molecular Modeling of Petroleum Processes and Catalysis ; Conference date: 05-04-1992 Through 10-04-1992",

}

TY - JOUR

T1 - Structures and dynamics of alkali ion-exchanged ZSM-5 as investigated by molecular dynamics and computer graphics

AU - Miyamoto, A.

AU - Matsuba, K.

AU - Kubo, Momoji

AU - Inui, T.

AU - Kawamura, K.

PY - 1992/3/1

Y1 - 1992/3/1

N2 - Much attention has recently been given to ion-exchanged zeolites in relation to their application as catalysts, adsorbents, and various functional materials. Molten dynamics (MD) has been widely applied for understanding the structure and physical properties of various substances including simple liquids, water, molten sales, liquid metals, glasses, and proteins, but it was scarcelly applied to the simulations of zeolite structure. The objective of the present study was to demonstrate the applicability of the MD method coupled with computer graphics (CG) techniques for estimating the position of cations in alkali ion-exchanged ZSM-5. Ion-exchanged ZSM-5 was selected because of its importance in various catalytic reactions. It should also be noted that experimental determination of cation positions is not easy for ZSM-5 because of the small number of ion-exchange sites.

AB - Much attention has recently been given to ion-exchanged zeolites in relation to their application as catalysts, adsorbents, and various functional materials. Molten dynamics (MD) has been widely applied for understanding the structure and physical properties of various substances including simple liquids, water, molten sales, liquid metals, glasses, and proteins, but it was scarcelly applied to the simulations of zeolite structure. The objective of the present study was to demonstrate the applicability of the MD method coupled with computer graphics (CG) techniques for estimating the position of cations in alkali ion-exchanged ZSM-5. Ion-exchanged ZSM-5 was selected because of its importance in various catalytic reactions. It should also be noted that experimental determination of cation positions is not easy for ZSM-5 because of the small number of ion-exchange sites.

UR - http://www.scopus.com/inward/record.url?scp=0026839844&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0026839844&partnerID=8YFLogxK

M3 - Conference article

AN - SCOPUS:0026839844

VL - 37

SP - 658

EP - 662

JO - American Chemical Society, Division of Petroleum Chemistry, Preprints

JF - American Chemical Society, Division of Petroleum Chemistry, Preprints

SN - 0569-3799

IS - 2

T2 - Symposium on Molecular Modeling of Petroleum Processes and Catalysis

Y2 - 5 April 1992 through 10 April 1992

ER -

Structures and dynamics of alkali ion-exchanged ZSM-5 as investigated by molecular dynamics and computer graphics

Abstract

ASJC Scopus subject areas

Other files and links

Cite this