Computational Studies of Hydrogen Production from Methanol Using Coal as Catalyst
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 intensifie...
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id-itb.:121172017-09-27T11:42:35ZComputational Studies of Hydrogen Production from Methanol Using Coal as Catalyst CHRISNARDY (NIM 10504049), FERDY Indonesia Final Project INSTITUT TEKNOLOGI BANDUNG https://digilib.itb.ac.id/gdl/view/12117 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. <br /> text |
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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. <br />
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| format |
Final Project |
| author |
CHRISNARDY (NIM 10504049), FERDY |
| spellingShingle |
CHRISNARDY (NIM 10504049), FERDY Computational Studies of Hydrogen Production from Methanol Using Coal as Catalyst |
| author_facet |
CHRISNARDY (NIM 10504049), FERDY |
| author_sort |
CHRISNARDY (NIM 10504049), FERDY |
| title |
Computational Studies of Hydrogen Production from Methanol Using Coal as Catalyst |
| title_short |
Computational Studies of Hydrogen Production from Methanol Using Coal as Catalyst |
| title_full |
Computational Studies of Hydrogen Production from Methanol Using Coal as Catalyst |
| title_fullStr |
Computational Studies of Hydrogen Production from Methanol Using Coal as Catalyst |
| title_full_unstemmed |
Computational Studies of Hydrogen Production from Methanol Using Coal as Catalyst |
| title_sort |
computational studies of hydrogen production from methanol using coal as catalyst |
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https://digilib.itb.ac.id/gdl/view/12117 |
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