The depletion of conventional energy resources has drawn the world’s attention towards the use of alternate energy resources, which are not only efficient but sustainable as well. For this purpose, hydrogen is considered the fuel of the future. Liquid organic hydrogen carriers (LOHCs) have proved themselves as a potential option for the release and storage of hydrogen. The present study is aimed to analyze the performance of the perhydro-dibenzyl-toluene (PDBT) dehydrogenation system, for the release of hydrogen, under various operational conditions, i.e., temperature range of 270–320 °C, pressure range of 1–3 bar, and various platinum/palladium-based catalysts. For the operational system, the optimum operating conditions selected are 320 °C and 2 bar, and 2 wt. % Pt/Al2O3 as a suitable catalyst. The configuration is analyzed based on exergy analysis i.e., % exergy efficiency, and exergy destruction rate (kW), and two optimization strategies are developed using principles of process integration. Based on exergy analysis, strategy # 2, where the product’s heat is utilized to preheat the feed, and utilities consumption is minimized, is selected as the most suitable option for the dehydrogenation system. The process is simulated and optimized using Aspen HYSYS® V10.