Abstract
Statistical mechanics and semi-empirical molecular orbital theory (PM6) are used to calculate the surface coverage of CO2 and H2 molecular species chemically adsorbed on the surface of Cu and Zn micro clusters. The calculation shows that CO2 is adsorbed well both on the surface of Cu and Zn micro clusters. Although H2 is adsorbed well on the surface of Zn micro clusters, H2 absorption on the surface of Cu micro clusters is much more limited in the pressure range of 20 - 100 atm and temperature range of 200 - 1000 K. Reaction rates are also estimated for some chemical adsorption process of H2 gas using theory of absolute reaction rates. It is found that the values of the reaction rate calculated in the present paper agree reasonably well with the experimental values.
Highlights
In view of the social awareness of the global climate change supposedly due to anthropogenic carbon dioxide (CO2) emissions [1], Sustainability Science Consortium was established in August 2010 in Japan for the purpose of better cooperation among various fields such as physics, chemistry, engineering, biology, economics, politics, quality control etc
The purpose of the present paper is to describe our calculation results on the surface coverage of CO2 and H2 molecular species chemically adsorbed on the surface of Cu and Zn micro clusters
Surface coverage values have been calculated for several catalytic surfaces in relation to the formation of methanol
Summary
In view of the social awareness of the global climate change supposedly due to anthropogenic carbon dioxide (CO2) emissions [1], Sustainability Science Consortium was established in August 2010 in Japan for the purpose of better cooperation among various fields such as physics, chemistry, engineering, biology, economics, politics, quality control etc. Research Institute of Innovative Technology for Earth proposed a “Global CO2 Recycle System”, in which a solar power station in a desert will generate electric power, and hydrogen gas will be produced using this electric power. Carbon dioxide gas recycled from industrialized countries will be carried to the desert by using, for example, a liquefied CO2 gas tanker. The chemical reaction of CO2 gas with hydrogen gas will be used to form methanol. The methanol will be conveyed return back to industrialized countries using a methanol tanker, and will be used as fuel [3,4,5]. Has already constructed a methanol tanker which is used practically in industry. In Mojave Desert in California in U.S.A., Solar Energy Generating Systems is in operation and electric power is produced therein
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