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  • 1
    ISSN: 1572-9028
    Keywords: heterogeneous ; enantioselective ; hydrogenation ; dehydration ; cinchona alkaloids ; zeolites ; simulation ; theory ; models
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The purpose of this paper is to review the use of molecular simulation techniques in the study of enantioselective heterogeneous catalysts. In particular we focus our attention on the use of molecular simulation in two well studied systems; (a) enantioselective hydrogenation of ά-ketoesters using modified metal catalysts and (b) the enantioselective dehydration of alcohols using modified zeolites.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Transport in porous media 6 (1991), S. 359-390 
    ISSN: 1573-1634
    Keywords: Two-phase ; nonlinear ; self-similar ; radial flow ; shocks ; entropy condition ; theory ; boundary layer ; withdrawal ; injection
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Technology
    Notes: Abstract A general mathematical formulation is developed, appropriate to both single- and two-phase conditions in a porous medium. A new similarity solution, generalizing the well known Theis solution, is derived for radial flow to a well in a region initially containing a two-phase mixture of steam and water, in which either steam or water is immobile. This generalized Theis solution follows from a new Ricatti equation for mass flow, which includes an additional nonlinear effect resulting from quadratic pressure gradient terms. Existing results for the saturation profile are extended by inclusion of nonlinear contributions, which are shown to be necessary for accurate descriptions of the saturation profile. A boundary-layer analysis is developed for flow about the well, where both mass flux and flowing enthaply are almost constant, which enables both the pressure and saturation profiles to be determined analytically. An analysis of two-phase self-similar shocks is given, together with the associated entropy conditions constraining the existence of shocks. Finally, numerical examples are discussed showing the agreement between theory and numerical simulations.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Transport in porous media 16 (1994), S. 289-298 
    ISSN: 1573-1634
    Keywords: Two-phase ; conduction ; theory ; permeability ; effective conductivities ; geothermal
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Technology
    Notes: Abstract Conductive and convective transport are related in two phase porous media, provided capillary effects are negligible. This paper shows that the role of conduction will be unimportant, relative to convective effects, for sufficiently high temperatures and sufficiently high permeabilities. An approximately linear relationship holds between temperature and the logarithm of permeability, above which conduction is unimportant relative to convection.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Transport in porous media 6 (1991), S. 501-517 
    ISSN: 1573-1634
    Keywords: Two phase ; local boiling ; flowing enthalpy ; counterflow ; singular equations ; pressure ; saturation ; vertical hierarchy ; characteristics ; weakshocks ; theory
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Technology
    Notes: Abstract The two phase flow equations frequently used in geothermal engineering ignore capillary pressure, which results in a singular system of equations. Analysis of these equations reveals three mechanisms for altering saturation: local boiling, the spatial dependence of flowing enthalpy due to the convective transport of fluid, and counterflow. A scalar function is associated with each of these three mechanims. At each point in space, flows are essentially two dimensional, with gravity establishing a vertical hierarchy, in that volumetric, energy and mass fluxes can never point below a lower member in this triple. With increasing liquid saturation, the characteristics associated with the saturation equation move up from below this grouping of directions, and eventually may even point above volumetric fluxes. Finally, weak shocks and the associated entropy condition are considered. The characteristics of the saturation equation coincide with the velocity of extremely weak shocks, and saturation increases with the passage of a weak shock, provided the magnitude of the characteristic speed increases with saturation.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Transport in porous media 4 (1989), S. 395-420 
    ISSN: 1573-1634
    Keywords: Two-phase boundary layer ; similarity variable ; fluid withdrawal ; pressure ; saturation ; theory ; water ; steam ; porous
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Technology
    Notes: Abstract Similarity profiles of pressure and saturation are analysed which result from one-dimensional planar withdrawal of fluid from a porous region initially containing a two phase mixture of steam and water. Approximate expressions are derived for the evolution of pressure and saturation profiles, and boundary-layer changes in saturation are identified. The existence of a similarity variable implies that the saturation conditions for the reservoir tend with time either to having both phases flowing; or to a single phase vapour. In particular, the nonlinear nature of the governing equations implies that infinitesimal changes in pressure can produce finite changes in saturation. The two mechanisms responsible for saturation changing with time involve local changes in energy storage in rock and fluid; together with spatial variations in flowing enthalpy. The latter mechanism occurred relatively slowly in the examples treated, and was responsible for boundary-layer formation when one phase was initially immobile. Dimensional analysis reveals that when a boundary layer develops, the underlying equations involve essentially only one dimensionless parameter which is typically small, being associated with the ratio of the energy density of the mobile phase relative to the total energy density.
    Type of Medium: Electronic Resource
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