Theoretical study of molecular hydrogen adsorption in Mg-exchanged chabazite

F. Javier Torres; Bartolomeo Civalleri; Alexander Terentyev; Piero Ugliengo; Cesare Pisani

doi:10.1021/jp067631l

Theoretical study of molecular hydrogen adsorption in Mg-exchanged chabazite

F. Javier Torres
, Bartolomeo Civalleri^*
, Alexander Terentyev
, Piero Ugliengo
, Cesare Pisani

^*Corresponding author for this work

Université di Torino

Research output: Contribution to journal › Article › peer-review

37 Scopus citations

Abstract

An enthalpy of adsorption of ca. -10 kJ/mol was theoretically predicted for the interaction of molecular hydrogen with Mg-exchanged low silica chabazite (Si/Al = 5/1), which is significantly higher than the theoretical prediction for alkali-metal-exchanged chabazites (-3.0/-7.0 kJ/mol) and in acceptable agreement with a recent experimental finding of -17.5 kJ/mol obtained for a different zeolite, that is, (Mg,Na)-Y.

Original language	English
Pages (from-to)	1871-1873
Number of pages	3
Journal	Journal of Physical Chemistry C
Volume	111
Issue number	5
DOIs	https://doi.org/10.1021/jp067631l
State	Published - 8 Feb 2007
Externally published	Yes

Access to Document

10.1021/jp067631l

Cite this

@article{e2078f0118fd4f85a89da23fc824d771,

title = "Theoretical study of molecular hydrogen adsorption in Mg-exchanged chabazite",

abstract = "An enthalpy of adsorption of ca. -10 kJ/mol was theoretically predicted for the interaction of molecular hydrogen with Mg-exchanged low silica chabazite (Si/Al = 5/1), which is significantly higher than the theoretical prediction for alkali-metal-exchanged chabazites (-3.0/-7.0 kJ/mol) and in acceptable agreement with a recent experimental finding of -17.5 kJ/mol obtained for a different zeolite, that is, (Mg,Na)-Y.",

author = "Torres, \{F. Javier\} and Bartolomeo Civalleri and Alexander Terentyev and Piero Ugliengo and Cesare Pisani",

year = "2007",

month = feb,

day = "8",

doi = "10.1021/jp067631l",

language = "Ingl{\'e}s",

volume = "111",

pages = "1871--1873",

journal = "Journal of Physical Chemistry C",

issn = "1932-7447",

publisher = "American Chemical Society",

number = "5",

}

TY - JOUR

T1 - Theoretical study of molecular hydrogen adsorption in Mg-exchanged chabazite

AU - Torres, F. Javier

AU - Civalleri, Bartolomeo

AU - Terentyev, Alexander

AU - Ugliengo, Piero

AU - Pisani, Cesare

PY - 2007/2/8

Y1 - 2007/2/8

N2 - An enthalpy of adsorption of ca. -10 kJ/mol was theoretically predicted for the interaction of molecular hydrogen with Mg-exchanged low silica chabazite (Si/Al = 5/1), which is significantly higher than the theoretical prediction for alkali-metal-exchanged chabazites (-3.0/-7.0 kJ/mol) and in acceptable agreement with a recent experimental finding of -17.5 kJ/mol obtained for a different zeolite, that is, (Mg,Na)-Y.

AB - An enthalpy of adsorption of ca. -10 kJ/mol was theoretically predicted for the interaction of molecular hydrogen with Mg-exchanged low silica chabazite (Si/Al = 5/1), which is significantly higher than the theoretical prediction for alkali-metal-exchanged chabazites (-3.0/-7.0 kJ/mol) and in acceptable agreement with a recent experimental finding of -17.5 kJ/mol obtained for a different zeolite, that is, (Mg,Na)-Y.

UR - https://www.scopus.com/pages/publications/33847379775

U2 - 10.1021/jp067631l

DO - 10.1021/jp067631l

M3 - Artículo

AN - SCOPUS:33847379775

SN - 1932-7447

VL - 111

SP - 1871

EP - 1873

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

IS - 5

ER -

Theoretical study of molecular hydrogen adsorption in Mg-exchanged chabazite

Abstract

Access to Document

Other files and links

Fingerprint

Cite this