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A projection-based analytical Jacobian framework for chemical kinetics applications

机译:A projection-based analytical Jacobian framework for chemical kinetics applications

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摘要

A major challenge in simulating complex combustion systems with detailed chemical kinetic models is the cost of integrating the chemical source terms, often done using stiff ODE solvers that require frequent Jacobian evaluations. Using analytically derived Jacobian matrices instead of divided-difference-based nu-merical Jacobian approximations can significantly reduce the associated computational cost. However, ambiguities arise in the formulation of analytical Jacobians because the chemical state of the system, or state vector, can be expressed in multiple ways, involving variables that are typically not independent from one another. In this work, the consequences of those ambiguities on practical calculations are char-acterized in detail, and a generalized, projection-based framework is proposed as a mitigation strategy. Performances are assessed in a series of test cases involving a variety of configurations and numerical solution approaches. Results show that with proper treatment, commonly used analytical Jacobian for-mulations can be considered as equivalent for practical purposes, thereby alleviating concerns that the state vector chosen to express the governing equations and corresponding analytical Jacobian may signif-icantly impact the accuracy of the simulations. (c) 2023 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

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