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  • 1
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Analytical chemistry 53 (1981), S. 1026-1030 
    ISSN: 1520-6882
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 96 (1992), S. 2205-2210 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Science Ltd
    European journal of soil science 53 (2002), S. 0 
    ISSN: 1365-2389
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences , Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: The quantification of the spatial heterogeneity of soil structure is one of the main difficulties to overcome for an adequate understanding of soil processes. There are different competing concepts for the type of heterogeneity, including macroscopic homogeneity, discrete hierarchy or fractal. With respect to these different concepts we investigate the structure of the pore space in one single sample (4 × 103 mm3) by analysing basic geometric quantities of the pores 〉 0.3 mm within gradually increasing subsamples. To demonstrate the relation between geometrical and functional properties we simulate gas diffusion within the three-dimensional pore space of the different subsamples. An efficient tool to determine the geometric quantities is presented. As a result, no representative elementary volume (REV) is found in terms of pore-volume density which increases with sample size. The same is true for the simulated gas diffusion coefficient. This effect is explained by two different types of pores, i.e. big root channels and smaller pores, having different levels of organization. We discuss the different concepts of structural organization which may be appropriate models for the structure investigated. We argue that the discrete hierarchical approach is the most profitable in practice.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Science Ltd
    European journal of soil science 51 (2000), S. 0 
    ISSN: 1365-2389
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences , Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: The inability to predict flow and transport behaviour based on a priori information demonstrates the lack of knowledge we currently have concerning transport-relevant properties or processes, or both. We present an approach in which the behaviour of effective solute transport at the scale of a soil column (100 mm) is predicted by taking into account the spatial structure of the hydraulic properties at the local scale (1 mm). The local absorption coefficients obtained from X-ray tomography, which are linearly related to bulk density, are used as local proxy for hydraulic properties. As a first approximation, two density classes were distinguished, and the three-dimensional structure of the hydraulic properties was implemented in a model of flow and transport. The local hydraulic properties were obtained from a network model, except for the absolute value of the hydraulic conductivity function which was measured. Model simulations were compared with a measured breakthrough curve determined on the same soil sample. The two agreed well, although the local hydraulic properties and parameter structure were determined independently with respect to a breakthrough experiment. Predictions of solute transport at the column scale were sensitive to the difference in saturated hydraulic conductivities of both materials, but not to the local dispersivities. The simulations demonstrate that (i) assuming validity of the Richards equation and the convection–dispersion equation on the local scale leads to a good description of the effective flow and transport behaviour at the column scale without making any assumptions about the governing processes at that scale; (ii) the dispersion parameters, which are notoriously difficult to determine, need not be determined since their effect is included explicitly; and (iii) local absorption coefficients can be used as a local proxy for the parameter field of the hydraulic properties.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Science Ltd
    European journal of soil science 49 (1998), S. 0 
    ISSN: 1365-2389
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences , Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: We investigated the possibility of inferring effective hydraulic properties of soil from the structure of the pore space. The aim was to identify structural properties, which are essential for water flow, so that physical experiments may be replaced by direct morphological measurements. The pore structure was investigated in three dimensions by serial sections through impregnated samples. The complex geometry of pore space was quantified in terms of two characteristics: pore-size distribution and pore connectivity. Only pores larger than 0.04 mm were considered. The results were used as input parameters for a pore-scale network model. The main desorption branch of the soil-water characteristic and the corresponding hydraulic conductivity function of the network model were calculated by numerical simulation. The simulation results, which are exclusively based on morphological investigations, were compared with independently measured results from a multi-step outflow experiment. This approach was demonstrated for two centrasting soil materials: the A and B horizons of a silty agricultural soil. The simulations were close to the experimental data, except for the absolute values of the hydraulic conductivity. The pore-size distribution and pore connectivity govern the shape of hydraulic functions and the applied morphometric methods are suitable for predicting essential characteristics of hydraulic soil properties.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 89 (1985), S. 2528-2533 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 4258-4267 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Infrared cavity ringdown laser absorption spectroscopy has been used to study the O–H stretching vibrations of jet-cooled methanol clusters in direct absorption. Rovibrational bands for (CH3OH)2, (CH3OH)3, and (CH3OH)4 have been measured. Both bonded and free O–H stretches were measured for the dimer, indicating that its structure is linear. Five bands were assigned to the methanol trimer, indicating the presence of a second cyclic isomer in the molecular beam. A detailed study of the free O–H stretching region shows that methanol clusters larger than dimer must exist in cyclic ring configurations. In order to facilitate spectral assignment, harmonic frequencies and infrared intensities were calculated for the methanol monomer, dimer, and trimer with second order Møller–Plesset perturbation theory. Using the theoretical infrared intensities and measured vibrational band absorptions, absolute cluster concentrations were calculated. Results agree with previous experimental and theoretical work. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Journal of the American Chemical Society 99 (1977), S. 4278-4286 
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Journal of the American Chemical Society 111 (1989), S. 7909-7914 
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 2577-2586 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Upon ionization by x irradiation, all-trans 1,3,5,7-octatetraene (OT) gives an electronic absorption (EA) spectrum which indicates the formation of at least five different (peri)planar conformations ("rotamers'') of OT+(underdot) next to the parent cation. Some of these undergo specific photochemical interconversions which are discussed on the basis of a complete scheme of OT+(underdot) rotamers and their connections via single bond-rotation processes. None of these photoreactions lead to any other than the initially observed six species which seem to form a distinguished set within the 20 possible OT+(underdot) rotamers. By very narrow bandwidth irradiation, interconversions can be induced to take place in a site-selective fashion. The resulting well-resolved difference spectra allow an analysis of the site dependence of the different ion's first two EA bands. Surprisingly, the extent of this site dependence varies greatly between different OT+(underdot) rotamers and between different electronic transitions of a given rotamer. Finally, a detailed vibrational analysis of the first two absorption bands of all-trans OT+(underdot) is given.
    Type of Medium: Electronic Resource
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