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Multi-level model

C. The Multi Level Modeling Approach for Gas-Solid Flows... [Pg.70]

Bokkers, G. A., Multi-level modelling of the hydrodynamics of gas phase polymerization reactors, PhD thesis, University of Twente (2005). [Pg.146]

Wesolowski TA (2006) One-electron equations for embedded electron density Challenge for theory and practical payoffs in multi-level modeling of complex polyatomic systems, in Computational Chemistry Reviews of Current Trends, vol. X, J. Leszczynski, (ed.) World Scientific, pp 1-82... [Pg.200]

Chapter 1 One-Electron Equations for Embedded Electron Density Challenge for Theory and Practical Payoffs in Multi-Level Modelling of Complex Polyatomic Systems... [Pg.1]

The fact that the exact ground-state electron density can be obtained as a sum of two components a trial electron density belonging to the class of functions, such that Px = Po — p1 0,1 is noninteracting pure-state v-representable, and the electron density derived from Eq. 31 provides a formal basis for the electron-density-partitioning based strategy in multi-level modelling. If subsystem A represents a small part of the... [Pg.16]

M. Ye, Multi-level modeling of dense gas-solid two-phase flows, PhD dissertation. University of Twente, 2005. [Pg.38]

Kratzig, W.B. 1997. Multi-level modeling technique for elasto-plastic structural responses. In D.R.J. Owen, et al. (eds.). Computational Plasticity. Proceedings 5th International Conference, Vol. 1, 457—468, CIMNE Barcelona. [Pg.594]

Jesson, D. and Gray, J. (1991) Slants on slopes using multi-level models to investigate differential school effectiveness and its impact on schools examination results . School Effectiveness and School Improvement, 2,3,230-71. [Pg.219]

Chan SH, Ho HK, Tian Y (2003) Multi-level modeling of sofc-gas turbine hybrid system. Intemat J Hydrogen Energy 28(8) 889-900... [Pg.199]

Because of the relatively small number of experiments done on commercial-scale equipment before submission, and the often very narrow factor ranges (Hi/Lo might differ by only 5-10%), if conditions are not truly under control, high-level models (multi-variate regressions, principal components analysis, etc.) will pick up spurious signals due to noise and unrecognized drift. For example, Fig. 4.43 summarizes the yields achieved for... [Pg.303]

Our multi-level carbon model atom is adapted from D. Kiselman (private communication), with improved atomic data and better sampling of some absorption lines. The statistical equilibrium code MULTI (Carlsson 1986), together with ID MARCS stellar model atmospheres for a grid of 168 late-type stars with varying Tefj, log g, [Fe/H] and [C/Fe], were used in all Cl non-LTE spectral line formation calculations, to solve radiative-transfer and rate equations and to find the non-LTE solution for the multi-level atom. We put particular attention in the study of the permitted Cl lines around 9100 A, used by Akerman et al. (2004). [Pg.54]

Arthur D. Little has carried out cost structure studies for a variety of fuel cell technologies for a wide range of applications, including SOFC tubular, planar and PEM technologies. Because phenomena at many levels of abstraction have a significant impact on performance and cost, they have developed a multi-level system performance and cost modeling approach (see Figure 1-15). At the most elementary level, it includes fundamental chemical reachon/reactor models for the fuel processor and fuel cell as one-dimensional systems. [Pg.48]

The real power in the multi-coefficient models, however, derives from the potential for the coefficients to make up for more severe approximations in the quantities used for (/) in Eq. (7.62). At present, Truhlar and co-workers have codified some 20 different multicoefficient models, some of which they term minimal , meaning that relatively few terms enter into analogs of Eq. (7.62), and in particular the optimized coefficients absorb the spin-orbit and core-correlation terms, so they are not separately estimated. Different models can thus be chosen for an individual problem based on error tolerance, resource constraints, need to optimize TS geometries at levels beyond MP2, etc. Moreover, for some of the minimal models, analytic derivatives are available on a term-by-term basis, meaning that analytic derivatives for the composite energy can be computed simply as the sum over tenns. [Pg.243]

During the past few decades, various theoretical models have been developed to explain the physical properties and to find key parameters for the prediction of the system behaviors. Recent technological trends focus toward integration of subsystem models in various scales, which entails examining the nanophysical properties, subsystem size, and scale-specified numerical analysis methods on system level performance. Multi-scale modeling components including quantum mechanical (i.e., density functional theory (DFT) and ab initio simulation), atom-istic/molecular (i.e., Monte Carlo (MC) and molecular dynamics (MD)), mesoscopic (i.e., dissipative particle dynamics (DPD) and lattice Boltzmann method (LBM)), and macroscopic (i.e., LBM, computational... [Pg.74]


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