NICOP - Conversion of Carbon dioxide to fuel Methanol (an input for Bio-diesel) over New Nanocatalysts - A Computational and Experimental study
Abstract
Optimal temperature conditions for life on earth mainly depend upon CO2 content in theatmosphere. It is essential that the excess C"O2 has to be captured or converted into usefulchemicals. One such process is the conversion of CO2 into methanol, which is one of t""heinputs for Bio-Diesel. This process involves efficient catalysts, high temperature and highpressure leading to the high cost of" the produce. There is a great challenge in reducing theenergy input and cost for this process. The objective of the proposed project is to make use ofthe nanomaterial and nanotechnology in designing an efficient CO2 to fuel convertor system.Nanoclusters with high catalytic efficiency and nanostructured substrate will be designedcomputationally using density functional theory (DFT). Carbon nanostructuresGraphene(Gra) or Carbon Nanotube (CNT) will be used as substrate. First the graphenesheet will be functionalised wi"th selected catalytic nanocluster. We plan to use Copper nanoclusters including additive metal atom CunM+, ( M= Al,Ti,Pt ) . CunM+" have relatively highreactivity compared to a single-element copper clusters Cun. The system CunM+ will bestabilised. Next CO2 will be attached to the metal cluster and stabilised. Finallyhydrogenation is effected by attaching 3H2 to CO2 and Cu4. The entire system will be relaxedand stabilized. In the final system the presence of methanol is expected because of thecatalytic conversion of CO2 and H2 on the surface of Cu4 nanoparticle which is absorbed onthe graphene.With the designed new nanoclusted catalysts on sui"table carbon nanostructure substrateslike graphene, experiments will be carried out to achieve a quality yield of CH3OH(methanol)"" at low pressure and low cost, with high efficiency. The main process is thehydrogenation of CO2 with selected new nanocatalyst loa"ded on suitable carbonnanostructures. First we fabricate the designed nano-catalyast on suitable substrate. Thelow temperature synthesis of methanol from CO2 and H2 on a the above designed andfabricated Cu-based catalyst will be attempted. The reaction apparatus is a flow-type semibatchautoclave reactor. The products in the reactor will be collected and analyzed. Theproducts will be confirmed using GCMS (Gas Chromatography Mass spectrometry). If themethanol partial pressure at equilibrium is higher than the boiling p"ressure of methanol at thegiven temperature, then one will have the reaction at condensing conditions. Under thisconditions, the p""roduced methanol of the equilibrium composition condenses creating asituation in which more gas is converted. Now, since equilibriu""m is not a limiting factor, highconversions can be expected.In the above conversion process the catalysts play vital role. Also th"e catalyst technology isalso getting refined. A catalyst by its presence enables a chemical reaction to proceed muchmore rapidly under mild conditions of temperature and pressure and direct the chemicalreaction into the commercially viable route when two or more routes are possible. Theproposed design of nano catalyst might help to conserve the material and reduce the cost ofthe catalyst." In summary we can say that the proposed research will contribute effectively tothe material (nanocatalyst) development, Energy and" Environmental technologies.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Mar 26, 2018
- Source ID
- N629091812066
Entities
People
- Iyakutti Kombiah
Organizations
- Office of Naval Research
- SRM Institute of Science and Technology
- United States Navy