Modelling - coupled

Mineva T, Russo N and Sicilia E 1998 Solvation effects on reaction profiles by the polarizable continuum model coupled with Gaussian density functional method J. Oomp. Ohem. 19 290-9... 

More general models couple the action of a given function at the center site to other sites with another (possibly different) coupling dynamics and individual coupling constants. For example, one generic form is given by... 

Bonan, G. B. (1995a). Land-atmosphere CO2 exchange simulated by a land surface process model coupled to an atmospheric general circulation model, j. Geophys. Res. 100,2817-2831. 

Amsden [14] used the Ogston model coupled with probability argument to find... 

Eulerian two-fluid model coupled with dispersed itequations was applied to predict gas-liquid two-phase flow in cyclohexane oxidation airlift loop reactor. Simulation results have presented typical hydrodynamic characteristics, distribution of liquid velocity and gas hold-up in the riser and downcomer were presented. The draft-tube geometry not only affects the magnitude of liquid superficial velocity and gas hold-up, but also the detailed liquid velocity and gas hold-up distribution in the reactor, the final construction of the reactor lies on the industrial technical requirement. The investigation indicates that CFD of airlift reactors can be used to model, design and scale up airlift loop reactors efficiently. 

Liu, C.S., Glahn, R.P., and Liu R.H., Assessment of carotenoid bioavailability of whole foods using a Caco-2 cell culture model coupled with an in vitro digestion, J. Agric. Food Chem., 52, 4330, 2004. 

The major objective of this presentation is to illustrate how an environmental risk assessment of a chemical can be made using mathematical models which are available at the present time. CGA-72662, a CIBA-GEIGY insect growth inhibitor, is used as an example to show how a risk assessment can be carried out using the SWRRB runoff model coupled to the EXAMS fate model. 

The SWRRB runoff model coupled to the EXAMS fate model can be used to predict exposure levels of chemicals to aquatic organisms. Safety factors can then be calculated. 

Inconsistency of all Lattice Models. The decoration principle of all lattice models coupled to polydispersity leads to a fundamental inconsistency of all lattice... 

Fig. 2b. Bone and liver uptake of inhaled cerium in Class D, W and Y compounds (no radioactive decay) as projected from the TGLD model coupled with the ICRP committee II model for radiocerium,...

Brusseau ML, Rao PSC, Beilin CA (1992) Modeling coupled processes in porous media sorption, transformation, and transport of organic solutes. In Wagenet RJ, Baveye P, Stewart BA (eds) Interacting processes in soil science. Lewis Publishers, Boca Raton, FL, USA... 

Terrado M, Barcelo D, Tauler R (2006) Identification and distribution of contamination sources in the Ebro river basin by chemometrics modelling coupled to geographical information systems. Talanta 70 691-704... 

Lionbashevski et al. (2007) proposed a quantitative model that accounts for the magnetic held effect on electrochemical reactions at planar electrode surfaces, with the uniform or nonuniform held being perpendicular to the surface. The model couples the thickness of the diffusion boundary layer, resulting from the electrochemical process, with the convective hydrodynamic flow of the solution at the electrode interface induced by the magnetic held as a result of the magnetic force action. The model can serve as a background for future development of the problem. 

Bartholoma P, Impidjati, Reininger-Mack A et al (2005) A more aggressive breast cancer spheroid model coupled to an electronic capillary sensor system for a high-content screening of cytotoxic agents in cancer... 

CCSD Model. Coupled Cluster Singles and Doubles. A Correlated Model. 

Current work with supercritical fluids can also illustrate the importance of cosolvents. Cosolvent effects in supercritical fluids can be considerable for systems where the cosolvent interacts strongly with the solute. A correlation suggests that both physical and chemical forces are important in the solvation process in polar cosolvent supercritical CO2 mixtures. The model coupled with the correlation represents a step toward predicting solubilities in cosolvent-modified supercritical fluids using nonthermody-namic data. This method of modeling cosolvent effects allows a more intuitive interpretation of the data than either a purely physical equation of state or ideal chemical theory can provide (Ting et al., 1993). 

The RIS model, coupled with the Flory matrix method, is applied to the calculation of the unperturbed mean-square end-to-end distance in polylcyclohexene sulphone) as a function of several parameters. The calculations are performed for atactic, isotactic and syndiotactic chains the tacticity arises from the two possible ways, D and L, in which the rings can be attached to the main chain, assuming that the C—C bonds are all in the trans conformation, as indicated by dielectric measurements. 

Fig. 6. Vector model coupling of spin and orbital angular momenta for which L = 2, S = 1...

Fig. 5. Vector model coupling of the spin angular momenta of two, three, and. four electrons...

For this reason, only highly reliable models coupled with accurate numerical routines such as those presented here are useful for the professional chemical/biological engineer. 

A better understanding of the behavior of FCC units can be obtained through mathematical models coupled with industrial verification and cross verification of these models. The mathematical model equations need to be solved for both design and simulation purposes. Most of the models are nonlinear and therefore they require numerical techniques like the ones described in the previous chapters. 

The model output using the 23 equations model coupled with the above 4 industrial modifications compares favorably with the data of two industrial FCC units. Both units were found to be operating near their middle steady state, see Figure 7.7, and the multiplicity region for each system covers a very wide range of parameters. 

The graphs of Figure 7.7 were obtained from the 23 equations model coupled with our four modifications on p. 440. 

Here / is the current density with the subscript representing a specific electrode reaction, capacitive current density at an electrode, or current density for the power source or the load. The surface overpotential (defined as the difference between the solid and electrolyte phase potentials) drives the electrochemical reactions and determines the capacitive current. Therefore, the three Eqs. (34), (35), and (3) can be solved for the three unknowns the electrolyte phase potential in the H2/air cell (e,Power), electrolyte phase potential in the air/air cell (e,Load), and cathode solid phase potential (s,cath), with anode solid phase potential (Sjan) being set to be zero as a reference. The carbon corrosion current is then determined using the calculated phase potential difference across the cathode/membrane interface in the air/air cell. The model couples carbon corrosion with the oxygen evolution reaction, other normal electrode reactions (HOR and ORR), and the capacitive current in the fuel cell during start-stop. 

Li P.W., Schaefer L., Chyu M.K. (2004) A numerical model coupling the heat and gas species transport processes in a tubular SOFC. Journal of Heat Transfer 126, 219-229. 

Before ending this section, we conclude that the present model couples the physical unidirection of time with perceived time through the CDS neumatic structure including up-down cognition but not left-right mirroring, see also the next section. 

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