987 resultados para Intrinsic reaction coordinate calculations


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The use of PC-based PD6493:1991 fracture assessment procedures has revealed that, under certain circumstances, flaws of different dimensions may be found as being limiting or critical for identical applied conditions. The main causes for multiple solutions are a steep applied stress gradient, residual stress relaxation and flaw re-characterisation. This work uses several case studies to illustrate some of the circumstances under which multiple solutions occurs.

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Calculations are presented predicting the onset of flow instability for a multistage low speed axial compressor operating in circumferentially distorted inlet flow. The most important feature of the model used is that it attempts to properly account for the fluid dynamic interaction between the spoiled and unspoiled sectors of the compressor. The calculations show that there is an approximate stability criterion, the annulus averaged slope of the compressor pressure rise characteristic equal to zero, that is valid whenever the dynamics of the compressor distorted flowfield can be considered independent of the compressor environment. This approximate criterion is used to investigate the relationship between the present model and the 'parallel compressor' model. Further calculations are performed to investigate cases of interest when the dynamics of the compressor flowfield are coupled to the environment. Resonant cases and cases when the distortion is unsteady are studied.

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The Rolls-Royce Integrated-Planar Solid Oxide Fuel Cell (IP-SOFC) consists of ceramic modules which have electrochemical cells printed on the outer surfaces. The cathodes are the outermost layer of each cell and are supplied with oxygen from air flowing over the outside of the module. The anodes are in direct contact with the ceramic structure and are supplied with fuel from internal gas channels. Natural gas is reformed into hydrogen for use by the fuel cells in a separate reformer module of similar design except that the fuel cells are replaced by a reforming catalyst layer. The performance of the modules is intrinsically linked to the behaviour of the gas flows within their porous structures. Because the porous layers are very thin, a one-dimensional flow model provides a good representation of the flow property variations between fuel channel and fuel cell or reforming catalyst. The multi-component convective-diffusive flows are simulated using a new theory of flow in porous material, the Cylindrical Pore Interpolation Model. The effects of the catalysed methane reforming and water-gas shift chemical reactions are also considered using appropriate kinetic models. It is found that the shift reaction, which is catalysed by the anode material, has certain beneficial effects on the fuel cell module performance. In the reformer module it was found that the flow resistance of the porous support structure makes it difficult to sustain a high methane conversion rate. Although the analysis is based on IP-SOFC geometry, the modelling approach and general conclusions are applicable to other types of SOFC.

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A general equation for a variance parameter, appearing as a crucial quantity in a simple algebraic expression for the mean chemical rate, is derived. This derivation is based on a flamelet approach to model a turbulent premixed flame, for high but finite values of the Damköhler number. Application of this equation to the case of a planar turbulent flame normal to the oncoming flow of reactants gives good agreement with DNS data corresponding to three different values of the Damköhler number and two values of the heat release parameter. © 2011.