Method and apparatus for obtaining species concentrations and re

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364578, 364499, 436 2, 436 34, 23306, G01N 1100

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056403313

ABSTRACT:
A method and apparatus for computing molecular diffusion and chemical reaction within a material wherein shape and time evolution values of one or more material surfaces are determined, and a rate of stretch of each material surface is determined as a function of time. The method includes solving a set of ordinary differential equations at a multiplicity of points on the material surface. The ordinary differential equations are reduced from and represent an approximation of a more complex and complete set of governing partial differential equations. One or more conserved scalars are tracked and conserved scalar values and a gradient of the conserved scalars are determined. A rate of change from the gradient of the conserved scalars is also determined. A mass fraction and a reaction rate of each chemical species of the material is correlated as a function of determined conserved scalar values and a determined gradient of the conserved scalars. The method and apparatus of this invention are particularly useful as a general tool for simulating nitrogen oxides output and other flame properties of a wide class of combustion applications.

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