Thermodynamics of the dehydrogenation of the LiBH4-YH 3 composite: Experimental and theoretical studies

Jae Hyeok Shim; Young Su Lee; Jin Yoo Suh; Wonchul Cho; Sang Sup Han; Young Whan Cho

doi:10.1016/j.jallcom.2011.09.005

Thermodynamics of the dehydrogenation of the LiBH₄-YH ₃ composite: Experimental and theoretical studies

Jae Hyeok Shim, Young Su Lee, Jin Yoo Suh, Wonchul Cho, Sang Sup Han, Young Whan Cho

Dept. of Future Energy Convergence

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

21 Scopus citations

Abstract

Pressure-composition-temperature curves were constructed for the dehydrogenation of the LiBH₄-YH₃ composite. The Van't Hoff plot of the plateau pressure values showed that the reaction enthalpy and entropy were 51 kJ/mol H₂ and 101 J/K mol H₂, respectively. Thermodynamic calculations were performed for the reaction in combination with first principles calculation. The calculated reaction enthalpy and entropy are in good agreement with the measured values. The equilibrium temperature for the reaction at 1 bar of hydrogen was estimated to be 232 °C.

Original language	English
Pages (from-to)	L9-L12
Journal	Journal of Alloys and Compounds
Volume	510
Issue number	1
DOIs	https://doi.org/10.1016/j.jallcom.2011.09.005
State	Published - 5 Jan 2011

Keywords

Composite materials
Hydrogen storage
Metal hydrides
Thermodynamic modeling
Thermodynamic properties

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1016/j.jallcom.2011.09.005

Cite this

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title = "Thermodynamics of the dehydrogenation of the LiBH4-YH 3 composite: Experimental and theoretical studies",

abstract = "Pressure-composition-temperature curves were constructed for the dehydrogenation of the LiBH4-YH3 composite. The Van't Hoff plot of the plateau pressure values showed that the reaction enthalpy and entropy were 51 kJ/mol H2 and 101 J/K mol H2, respectively. Thermodynamic calculations were performed for the reaction in combination with first principles calculation. The calculated reaction enthalpy and entropy are in good agreement with the measured values. The equilibrium temperature for the reaction at 1 bar of hydrogen was estimated to be 232 °C.",

keywords = "Composite materials, Hydrogen storage, Metal hydrides, Thermodynamic modeling, Thermodynamic properties",

author = "Shim, \{Jae Hyeok\} and Lee, \{Young Su\} and Suh, \{Jin Yoo\} and Wonchul Cho and Han, \{Sang Sup\} and Cho, \{Young Whan\}",

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T1 - Thermodynamics of the dehydrogenation of the LiBH4-YH 3 composite

T2 - Experimental and theoretical studies

AU - Shim, Jae Hyeok

AU - Lee, Young Su

AU - Suh, Jin Yoo

AU - Cho, Wonchul

AU - Han, Sang Sup

AU - Cho, Young Whan

PY - 2011/1/5

Y1 - 2011/1/5

N2 - Pressure-composition-temperature curves were constructed for the dehydrogenation of the LiBH4-YH3 composite. The Van't Hoff plot of the plateau pressure values showed that the reaction enthalpy and entropy were 51 kJ/mol H2 and 101 J/K mol H2, respectively. Thermodynamic calculations were performed for the reaction in combination with first principles calculation. The calculated reaction enthalpy and entropy are in good agreement with the measured values. The equilibrium temperature for the reaction at 1 bar of hydrogen was estimated to be 232 °C.

AB - Pressure-composition-temperature curves were constructed for the dehydrogenation of the LiBH4-YH3 composite. The Van't Hoff plot of the plateau pressure values showed that the reaction enthalpy and entropy were 51 kJ/mol H2 and 101 J/K mol H2, respectively. Thermodynamic calculations were performed for the reaction in combination with first principles calculation. The calculated reaction enthalpy and entropy are in good agreement with the measured values. The equilibrium temperature for the reaction at 1 bar of hydrogen was estimated to be 232 °C.

KW - Composite materials

KW - Hydrogen storage

KW - Metal hydrides

KW - Thermodynamic modeling

KW - Thermodynamic properties

UR - http://www.scopus.com/inward/record.url?scp=80054074186&partnerID=8YFLogxK

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DO - 10.1016/j.jallcom.2011.09.005

M3 - Letter

AN - SCOPUS:80054074186

SN - 0925-8388

VL - 510

SP - L9-L12

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

IS - 1

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