نتایج جستجو برای: intermolecular potential energy
تعداد نتایج: 1663066 فیلتر نتایج به سال:
Most reservoir fluids contain heavy paraffinic compounds that may precipitate as a solid or solid like material called wax if the fluid is cooled down. Wax precipitation is a phenomenon of considerable importance in oil industry. An increase in aggregation results in enhanced oil viscosity. This however causes significant negative effects on production, transportation and processing of crude oi...
an inversion procedure is used to obtain from the extended principle of corresponding - states the pair interaction potentials for argon, krypton and its mixture over a tetnperature range from absolute zero to the onset of ionization. the experimentally-reduced viscosity collision integrals obtained from the corresponding - states correlation have been inverted directly to give the reduced-inte...
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most reservoir fluids contain heavy paraffinic compounds that may precipitate as a solid or solid like material called wax if the fluid is cooled down. wax precipitation is a phenomenon of considerable importance in oil industry. an increase in aggregation results in enhanced oil viscosity. this however causes significant negative effects on production, transportation and processing of crude oi...
Spectroscopic methods in concert with molecular-beam techniques can be used to study t h e effects of intermolecular interactions on reactive potential-energy surfaces. For these studies, w e employ photoreactive molecules 'embedded' in small clusters. Spectroscopic and photochemical studies of isolated and clustered methyl iodide are described. The following effects are presented and discussed...
A new four-dimensional potential energy surface for CO2-C2H2 complex has been calculated by the ab initio methods at MP2/cc-pVXZ and MP2/aug-cc-pVXZ theory. For calculating the PES of the CO2-C2H2 complex, we have chosen to follow the supermolecule approach. The complete basis set limit of potential energy surface has been taken by extrapolation. Our MP2 results showed the most stable form of C...
The virial coefficients can be obtained from statistical mechanics in connection with the intermolecular potentials. The intermolecular potential of polyatomic molecules is usually assumed to consist of a spherically symmetric component plus a contribution due to asphericaity of the molecular charge distribution. In this study, the second virial coefficients have been calculated for N2...
The Doi kinetic theory for flows of homogeneous, rodlike liquid crystalline polymers (LCPs) is extended to model flows of nonhomogeneous, rodlike LCPs through a nonlocal (long-range) intermolecular potential. The theory features (i) a nonlocal, anisotropic, effective intermolecular potential in an integral form that is consistent with the chemical potential, (ii) short-range elasticity as well ...
An inversion procedure is used to obtain from the extended principle of corresponding - states the pair interaction potentials for argon, krypton and its mixture over a tetnperature range from absolute zero to the onset of ionization. The experimentally-reduced viscosity collision integrals obtained from the corresponding - states correlation have been inverted directly to give the reduced...
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