Thermodynamic analysis of hydrogen storage: Biphenyl as affordable liquid organic hydrogen carrier (LOHC)

Maria E. Konnova; Sergey V. Vostrikov; Aleksey A. Pimerzin; Sergey P. Verevkin

doi:10.1016/j.jct.2021.106455

Thermodynamic analysis of hydrogen storage: Biphenyl as affordable liquid organic hydrogen carrier (LOHC)

Maria E. Konnova
, Sergey V. Vostrikov
, Aleksey A. Pimerzin
, Sergey P. Verevkin^*

^*Corresponding author for this work

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

30 Citations (Scopus)

Abstract

One of the promising directions for accumulating hydrogen is its binding into a liquid organic hydrogen carrier (LOHC). In this concept, a LOHC is loaded with hydrogen (hydrogenation) during production and then discharged again (dehydrogenation) when the hydrogen is needed. Biphenyl is an interesting option as potential LOHC due to its reasonable storage capacity. This paper deals with the experimental chemical equilibrium study and a detailed analysis of the biphenyl hydrogenation reactions. We evaluated the consistent set of vapour pressures and standard molar thermodynamic properties of biphenyl derivatives with help of complementary vapour pressure measurements, and empirical and quantum-chemical calculations. The chemical equilibrium constants of hydrogenation-dehydrogenation and thermodynamic characteristics for the biphenyl system were determined.

Original language	English
Article number	106455
Journal	Journal of Chemical Thermodynamics
Volume	159
DOIs	https://doi.org/10.1016/j.jct.2021.106455
Publication status	Published - Aug 2021
Externally published	Yes

Keywords

Chemical equilibrium
Enthalpy of formation
Enthalpy of vaporization
Quantum-chemical calculations
Structure-property relationships
Vapour pressure

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10.1016/j.jct.2021.106455

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title = "Thermodynamic analysis of hydrogen storage: Biphenyl as affordable liquid organic hydrogen carrier (LOHC)",

abstract = "One of the promising directions for accumulating hydrogen is its binding into a liquid organic hydrogen carrier (LOHC). In this concept, a LOHC is loaded with hydrogen (hydrogenation) during production and then discharged again (dehydrogenation) when the hydrogen is needed. Biphenyl is an interesting option as potential LOHC due to its reasonable storage capacity. This paper deals with the experimental chemical equilibrium study and a detailed analysis of the biphenyl hydrogenation reactions. We evaluated the consistent set of vapour pressures and standard molar thermodynamic properties of biphenyl derivatives with help of complementary vapour pressure measurements, and empirical and quantum-chemical calculations. The chemical equilibrium constants of hydrogenation-dehydrogenation and thermodynamic characteristics for the biphenyl system were determined.",

keywords = "Chemical equilibrium, Enthalpy of formation, Enthalpy of vaporization, Quantum-chemical calculations, Structure-property relationships, Vapour pressure",

author = "Konnova, \{Maria E.\} and Vostrikov, \{Sergey V.\} and Pimerzin, \{Aleksey A.\} and Verevkin, \{Sergey P.\}",

note = "Publisher Copyright: {\textcopyright} 2021 Elsevier Ltd",

year = "2021",

month = aug,

doi = "10.1016/j.jct.2021.106455",

language = "English",

volume = "159",

journal = "Journal of Chemical Thermodynamics",

issn = "0021-9614",

publisher = "Academic Press",

}

TY - JOUR

T1 - Thermodynamic analysis of hydrogen storage

T2 - Biphenyl as affordable liquid organic hydrogen carrier (LOHC)

AU - Konnova, Maria E.

AU - Vostrikov, Sergey V.

AU - Pimerzin, Aleksey A.

AU - Verevkin, Sergey P.

PY - 2021/8

Y1 - 2021/8

N2 - One of the promising directions for accumulating hydrogen is its binding into a liquid organic hydrogen carrier (LOHC). In this concept, a LOHC is loaded with hydrogen (hydrogenation) during production and then discharged again (dehydrogenation) when the hydrogen is needed. Biphenyl is an interesting option as potential LOHC due to its reasonable storage capacity. This paper deals with the experimental chemical equilibrium study and a detailed analysis of the biphenyl hydrogenation reactions. We evaluated the consistent set of vapour pressures and standard molar thermodynamic properties of biphenyl derivatives with help of complementary vapour pressure measurements, and empirical and quantum-chemical calculations. The chemical equilibrium constants of hydrogenation-dehydrogenation and thermodynamic characteristics for the biphenyl system were determined.

AB - One of the promising directions for accumulating hydrogen is its binding into a liquid organic hydrogen carrier (LOHC). In this concept, a LOHC is loaded with hydrogen (hydrogenation) during production and then discharged again (dehydrogenation) when the hydrogen is needed. Biphenyl is an interesting option as potential LOHC due to its reasonable storage capacity. This paper deals with the experimental chemical equilibrium study and a detailed analysis of the biphenyl hydrogenation reactions. We evaluated the consistent set of vapour pressures and standard molar thermodynamic properties of biphenyl derivatives with help of complementary vapour pressure measurements, and empirical and quantum-chemical calculations. The chemical equilibrium constants of hydrogenation-dehydrogenation and thermodynamic characteristics for the biphenyl system were determined.

KW - Chemical equilibrium

KW - Enthalpy of formation

KW - Enthalpy of vaporization

KW - Quantum-chemical calculations

KW - Structure-property relationships

KW - Vapour pressure

UR - https://www.scopus.com/pages/publications/85105332901

U2 - 10.1016/j.jct.2021.106455

DO - 10.1016/j.jct.2021.106455

M3 - Article

AN - SCOPUS:85105332901

SN - 0021-9614

VL - 159

JO - Journal of Chemical Thermodynamics

JF - Journal of Chemical Thermodynamics

M1 - 106455

ER -

Thermodynamic analysis of hydrogen storage: Biphenyl as affordable liquid organic hydrogen carrier (LOHC)

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Keywords

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