A unique behavior of sub-critical hydrocarbon permeability in activated carbon at low pressures

In our study on sub-critical hydrocarbon permeation in activated carbon, a minimum in the total permeability (B-T) at low pressure has been observed for only long-chain hydrocarbons such as n-hexane and n-heptane. Such an observation suggests that the minimum appearance depends on the properties of permeating vapors as well as the porous medium. In this paper a permeation model is presented to explain the minimum behavior with the allowance of the collision-reflection factor in the Knudsen diffusivity to be a function of surface loading. Surface diffusion was found to be very significant compared to other transport mechanisms such as Knudsen diffusion and gaseous viscous flow at low pressures. Since the gaseous viscous flow contributes negligibly to the B, at low pressures, the minimum appearance in the B, is mainly attributed to the interplay between Knudsen diffusion and surface diffusion. Also, the molecular structure of adsorbates plays an important role in the minimum appearance.

Catalytic properties of heteropolyacids supported on MCM-41 mesoporous silica for hydrocarbon cracting reactions

It is known that MCM-41 structures have very weak acid sites because of the lack of the bridging hydroxyl groups present in zeolites. Strong acidity however is required for the potential use of these materials in some specific applications such as: cracking and hydrotreating of heavy residue molecules, cracking of waste plastic, etc. The acidity enhancement of the MCM-41 materials was assessed using the n-hexane and polyethylene cracking reactions. MCM-41 samples were impregnated using heteropolyacid (HPA) such as tungestophospheric acid. The catalyst samples were characterized also by x-ray diffraction and benzene adsorption.

A broad framework for the exploration of South China Sea hydrocarbon deposits in the context of the Trans-ASEAN gas pipeline

Proposals to interconnect the existing gas infrastructure of ASEAN states by a Trans-ASEAN Gas Pipeline carry potential for increased economic development, efficiency and improved energy security in South East Asia - plans to expand the Trans-ASEAN Gas Pipeline to remote hydrocarbon deposits in the South China Sea is subject to contradicting claims of sovereignty by several nations - recent developments in the relationship between ASEAN and China indicate that an interim arrangement is possible, holding great potential to be economically, socially and politically beneficial to the entire region.

Transition-state-theory calculations for reactions of O(3P) with halogenated olefins

The potential energy surfaces for the reactions of atomic oxygen in its ground electronic state, O(P-3), with the olefins: CF2=CCl2 and CF2=CF - CF3, have been characterized using ab initio molecular orbital calculations. Geometry optimization and vibrational frequency calculations were performed for reactants, transition states and products at the MP2 and QCISD levels of theory using the 6-31G(d) basis set. This database was then used to calculate the rate constants by means of Transition-State-Theory. To obtain a better reference and to test the reliability of the activation barriers we have also carried out computations using the CCSD(T)(fc)/6-311Gdagger, MP4(SDQ)(fc)/CBSB4 and MP2(fc)/CBSB3 single point energy calculations at both of the above levels of theory, as well as with the composite CBS-RAD procedure ( P. M. Mayer, C. J. Parkinson, D. M. Smith and L. Radom, J. Chem. Phys., 1998, 108, 604) and a modi. cation of this approach, called: CBS-RAD( MP2, MP2). It was found that the kinetic parameters obtained in this work particularly with the CBS-RAD ( MP2, MP2) procedure are in reasonable agreement with the experimental values. For both reactions it is found that the channels leading to the olefin double-bond addition predominates with respect to any other reaction pathway. However, on account of the different substituents in the alkenes we have located, at all levels of theory, two transition states for each reaction. Moreover, we have found that, for the reactions studied, a correlation exists between the activation energies and the electronic structure of the transition states which can explain the influence of the substituent effect on the reactivity of the halo-olefins.