STUDI KOMPUTASI PRODUKSI HIDROGEN DARI METANOL DENGAN MENGGUNAKAN GRAFIT SEBAGAI KATALIS

• Main Author: Chrisnardy, Ferdy
• Format: Final Project
• Language: Indonesia
• Subjects: Kimia
• Online Access: https://digilib.itb.ac.id/gdl/view/71770
• Institution: Institut Teknologi Bandung

Recent technology development of alternatif energy sources as a substitute for fossil-fuels had produced hydrogen-fueled fuel-cell as a potential substituent. Recently, research on the improvement of fuel-cell’s efficiency and also the production of the hydrogen fuel itself have been intensified and involve many majors on its development. Based on previous research, hydrogen can be produced through dehydrogenation of cyclohexene to produce benzene with anthracite coal as catalyst. Computational studies of this mechanism had been done before involving two models of coal active sites, i.e. armchair and zigzag. This research aim to substitute cyclohexene with methanol, which hopefully would make us understand the properties of both coal’s active sites better. The entire computations were based on unrestricted Hartree-Fock Method with basis set of 6-31G(d). In this research, the impacts of using different graphite coal models on reactivity and the mechanism that occur in hydrogen production were obtained.