an interaction potential at different orientation for the ch4 and co2 complex was derived at theb3lyp level of theory and 6-31+g* basis sets. the potential energy surface was computed on somemolecular geometries. the complete basis set limit of the interaction energies were fitted to wellknownanalytical functions. to determine the second virial coefficients b, u(r) is used to obtain themodel’s ...

zinc (ⅱ) tricarboxylate (zn-btc) with metal-organic framework (mof) has been synthesized for the first time under solvothermal conditions and has been tested as an adsorbent for methane and carbon dioxide at standard temperature and pressure. the adsorbent was characterized by means of x-ray diffraction(xrd), brunauer-emmet-teller (bet), fourier transform infrared (ft-ir) and scanning electron ...

the experimental studies of methane conversion to higher hydrocarbons and methanol using a dielectric barrier discharge (dbd) reactor are presented in this article. the process is carried out at ambient atmospheric pressure and temperature. the dbd reactor is stimulated by an alternative voltage of 50 hz and amplitude of max.23kv. the examination of the effect of voltage and flow rates on metha...

The methane storage behavior in nanoporous material is significantly different from that of a bulk phase, and has a fundamental role in methane extraction from shale and its storage for vehicular applications. Here we show that the behavior and mechanisms of the methane storage are mainly dominated by the ratio of the interaction between methane molecules and nanopores walls to the methane inte...

By performing constrained molecular dynamics simulations in the methane-water system, we successfully calculated the potential of mean force (PMF) between a dodecahedral water cage (DWC) and dissolved methane for the first time. As a function of the distance between DWC and methane, this is characterized by a deep well at approximately 6.2 A and a shallow well at approximately 10.2 A, separated...

The present study was conducted to evaluate in vivo the role of rumen ciliate protozoa with respect to the methane-suppressing effect of coconut oil. Three sheep were subjected to a 2 x 2 factorial design comprising two types of dietary lipids (50 g x kg(-1) coconut oil vs. 50 g x kg(-1) rumen-protected fat) and defaunation treatment (with vs. without). Due to the defaunation treatment, which r...

ch4, c2h6 and c2h4 are the most important outlet gaseous of oxidative couple methane (ocm) reaction and this process is a new technology for conversion of natural gas to ethane and ethylene products. in this study, adsorption of ocm outlet hydrocarbons over 10x zeolite has been examined at equilibrium conditions. temperature and pressure are the most effective operational parameters in the batc...

The partial oxidation of methane to synthesis gas over rhodium sponge has been investigated by admitting pulses of pure methane and pure oxygen as well as mixtures of methane and oxygen to rhodium sponge at temperatures from 873 to 1023 K. Moreover, pulses of oxygen followed by methane and vice versa as well as pulses of mixtures of methane and labelled oxygen were applied to study the role of ...

1. The roles of the three protein components of soluble methane mono-oxygenase were investigated by the use of rapid-reaction techniques. The transfer of electrons through the enzyme complex from NADH to methane/O2 was also investigated. 2. Electron transfer from protein C, the reductase component, to protein A, the hydroxylase component, was demonstrated. Protein C was shown to undergo a three...