Coupling model for

Kent, T.A., Huynh, B.H., and Miinck, E. 1980. Iron-sulfur proteins Spin-coupling model for three-iron clusters. Proceedings of the National Academy of Sciences of the USA 77 6574-6576. 

Papaefthymiou, V., Girered, J.-J., Moura, I., Moura, J.J.G., and Miinck, E. 1987. Mossbauer study of D. gigas ferredoxin II and spi-coupling model for the Fe3S4 cluster with valence delocalization. Journal of the American Chemical Society 109 4703 1710. 

Steefel, C. I. and A.C. Lasaga, 1994, A coupled model for transport of multiple chemical species and kinetic precipitation/dissolution reactions with application to reactive flow in single phase hydrothermal systems. American Journal of Science 294, 529-592. 

Inclusion of Solvent Effects in a Vibronic Coupling Model for Mixed-Valence Compounds... 

A vibronic coupling model for mixed-valence systems has been developed over the last few years (1-5). The model, which is exactly soluble, has been used to calculate intervalence band contours (1, 3, 4, 5), electron transfer rates (4, 5, 6) and Raman spectra (5, 7, 8), and the relation of the model to earlier theoretical work has been discussed in detail (3-5). As formulated to date, the model is "one dimensional (or one-mode). That is, effectively only a single vibrational coordinate is used in discussing the complete ground vibronic manifold of the system. This is a severe limitation which, among other things, prevents an explicit treatment of solvent effects which are... 

As a conclusion, Hartree-Fock calculations are seen to be qualitatively compatible with the simple models (ligand field theory for dd-transitions, and the weak coupling model for CT-transitions). However, the ab initio work strongly suggests that the results be situated in a different conceptual framework. 

The moisture dependent shrinkage coefficients resulting from Eq. 1, are used as input in the coupled model for drying and cracking of virtual CP samples [1], Cracking is caused by the moisture load , applied in the finite element Lattice Fracture Model (LFM), as an axial eigen force F as follows ... 

Figure 7.6 Stimulus-response coupling models for the induction of alkaloid biosynthesis in plant cell cultures. A. Terpenoid indole alkaloids. B. Benzylisoquinoline alkaloids.

Piepho has responded to the criticisms of the PKS model by developing an improved version, the MO vibronic coupling model for mixed-valence complexes (32). Multicenter vibrations are now considered and a molecular orbital basis set (as with the three-site model) is used. This model was used to calculate band shape and g values for the Cretuz-Taube ion (33). The MO vibronic coupling model is admittedly more empirical than the three-site model but it has the advantage in being applicable to all mixed-valence complexes. 

Effectively the parameter m for the width of the distribution function in the ordinary multicomponent LF equation is replaced by a product of two parameters p representing the intrinsic affinity, nx the ion specific non ideality. The ion specific non ideality can be due to residual heterogeneity or other non ideality effects typical for the ion studied. On the expense of one additional parameter (nx) for each adsorbing component this model is far more flexible for multicomponent adsorption on heterogeneous surfaces than the fully coupled models. For nx = 1 for all X the NICA equation reduces to Eq. (89). The NICA model has been used successfully for proton and metal ion binding to humic acids [116-118], but it is not yet applied to heterogeneous metal oxides. 

Equation (13,35) is the exact golden-rule rate expression for the bilinear coupling model. For more realistic interaction models such analytical results cannot be obtained and we often resort to numerical simulations (see Section 13.6). Because classical correlation functions are much easier to calculate than their quantum counterparts, it is of interest to compare the approximate rate ks sc, Eq. (13.27), with the exact result kg. To this end it is useful to define the quantum correction factor... 

Figure 10. Linear correlation between the experimental activation energy in the glassy state for the JG fi-relaxation process (abscissa) and the activation energy predicted by the Coupling Model for the primitive relaxation (ordinate). Symbols for simple Van der Waals molecules, H-bonded systems, polymers, chlorobenzene/toluene mixture, inorganics and epoxy oligomers are shown in the figure. The solid line is a linear regression of data (linear coefficient 0.99 0.01).

The disaccharides such as trehalose, maltose, and leucrose are useful in biopreservation and life science, and the polysaccharides are important in other areas. On elevating pressure, fructose, D-ribose, 2-deoxy-D-ribose , and leucrose have a secondary relaxation shifting to lower frequencies with applied pressures, mimicking the behavior of the a-relaxation. The one in leucrose is sensitive to the thermodynamic history of measurements. There is also good agreement of the observed relaxation time of the secondary relaxation with the primitive relaxation time calculated from the Coupling Model for D-ribose and 2-deoxy-D-ribose. These results indicate that this secondary relaxation in the mono- and di-saccharides is connected to the a-relaxation in the same way as in ordinary glassformers, and hence it is the JG p-relaxation of... 

The thermal-mechanical coupling model for suddenly-heated ceramic-metal FGMs has been developed by the present authors in Ref[l]. To consider the plastic deformation effect on the heat conduction in the materials, the coupled heated conduction equation in Ref.[l] is now modified as ... 

Fig. 6. The coupling model for a V 4 rhombus showing best-fit parameter values (60).

Fig. 19. The coupling model for M4O18 rhomb-like cores in [M4(H20)2(PW9034)2J (105).

The first attempts to simulate the three-dimensional global distribution of chemically active species in the stratosphere have been based on the on-line approach. Hunt (1969) introduced ozone in the early GCM developed at GFDL, and studied the transport of this compound, using a simple parameterization for its photochemistry. Somewhat more sophisticated coupled models for ozone and related compounds have been developed by Cunnold et al. (1975) and Schlesinger and Mintz (1979). 

Fig. 12.20 Results of a steady-state simulation with a coupled model for ocean circulation, water chemistry and sediment diagenesis. Major control parameters and forcings comprise a large-scale geostrophic flow field, primary productivity controlled by nutrient advection, export production and sediment accumulation, as well as CO input by weathering and CO -exchange with the atmosphere, a) Export production (mol m yr ), b) CaCO export production (both mol m yr ), c) wt% CaCOj, d) CaCO mass accumulation rate (g cm kyr ) (from Archer et al. 1998).

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