Thermodynamic efficiencies of hydrogen storage processes using carbazole-based compounds. (15th June 2016)

• Record Type: Journal Article
• Authors: Choi, In Young; Shin, Byeong Soo; Kwak, Sang Kyu; Kang, Kyung Soo; Yoon, Chang Won; Kang, Jeong Won
• Is Part Of: International journal of hydrogen energy. Volume 41:Number 22(2016)
• Page Start: 9367
• Page End: 9373
• Publication Date: 2016-06-15
• Subjects: Hydrogen storage -- Liquid organic hydrogen carrier (LOHC) -- Carbazole; Hydrogen as fuel -- Periodicals; Hydrogène (Combustible) -- Périodiques; Hydrogen as fuel; Periodicals; 665.81
• DOI: 10.1016/j.ijhydene.2016.04.118
• Languages: English
• ISSNs: 0360-3199

Abstract

Abstract: Carbazole-based compounds are promising candidates for hydrogen storage materials, and recent research has focused on finding components with higher hydrogen storage capacity and desirable physical properties. In this paper, thermodynamic efficiencies of hydrogenation and dehydrogenation reactions were analyzed assuming an idealized process. The physical properties and thermodynamic efficiencies of three carbazole-based compounds (n-ethylcarbazole, n-propylcarbazole, n-acetylcarbazole) were investigated for use as liquid organic hydrogen carriers (LOHCs). Unavailable physical and thermodynamic properties were estimated using molecular modeling or group-contribution methods. Process simulations were performed for hydrogen storage and release processes using a commercial simulation package to evaluate the thermodynamic efficiencies of three candidate molecules. Even though there might be additional loss of exergy upon practical implementation of the whole process, the framework developed in this study can be useful for screening candidate LOHC molecules. Highlights: Molecular modeling and simulation tools were used to evaluate performance of LOHCs. Three carbozole-based components were evaluated for thermodynamic efficiencies. N-acetylcarbazole showed better thermodynamic efficiency than n-ethylcarbazole.