Numerical modelling methodology

Voller VR, Prakash C (1987) A fixed grid numerical modeling methodology for convection-diffusion mushy region phase-change problems. Int J Heat Mass Transf 308 1709-1719... 

The rock stress predictions, based on database information and numerical modelling, were satisfactory and helped to focus attention on the key factors involved. In particular, the use of numerical modelling assists in evaluating potential stress changes in the vicinity of fracture zones. Methods of dealing with conceptual uncertainty and spatial variability of stress were successfully introduced into the rock stress characterization and predictive methodology. 

Whipple (1997) developed numerical models for open channel flow of Bingham fluids but did not provide a methodology to calculate friction losses. This paper is important for a geophysicist but provides no useful tools for the slurry engineer. 

This chapter provides an introduction to SOFC technology for stationary power generation. A 2D numerical model is developed by coupling the computational fluid dynamics (CFD) methodology with the electrochemical and chemical reaction kinetics. The rates of chemical reaction and electrochemical reaction as well as corresponding reaction heats are implemented in the CFD model as source terms. 

In this chapter, attention will be focused on applications of the Cahn-Hilliard equation on the numerical simulation of an inhomogeneous polymer blend. The numerical model of a binary polymer system and a polymer-polymer-solvent system will be reviewed as examples to illustrate the application of such modeling methodologies. Attention will be paid in particular to a diffusion-controlled system with no mechanical flow, and the effects of substrate patterning will be taken into consideration to highlight the influences of external attraction during the phase separation of polymer blends. The results of the numerical simulation will then be verified using realistic experimental results, on a quantitative basis. 

To evaluate a numerical simulation methodology and previously suggested analytieal models Faux et al. used MD simulations to determine the spin-pair eorrelation function G (t) needed to determine the Tj and T2 relaxation times for water diffusion in liquid and inside pore. Both the rotational and translation motion of water is obtained from MD simulations and eompared with corresponding NMR relaxation data. MD simulations were found as a powerful tool to explain the diffusive behavior on atomistic scale and did provide parameterization for subsequent simulations to cover longer time and length scales. 

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