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TAPsolver is an open-source, python program for the analysis of Temporal Analysis of Products (TAP) reactor experiments. The methods of analysis include:

• PDE-based simulations, including state-altering, state-defining and pump-probe operating conditions
• PDE-constrained optimization of kinetic parameters
• Hessian assesment of parameter uncertainties
• Ensemble-based evaluation of initial state/reactor configuration uncertainties
• Model-based design of experiments and model discrimination (under development)
• Efficient kinetic parameter uncertainty propagation to TAP experiments (under development)
• Bayesian parameter estimation (under development)

The python packages FEniCS (Finite Element Computational Software) and Dolfin-Adjoint act as the foundation of TAPsolver and allow for the flexible and efficient application of algorithmic differentiation. TAPsolver was also closely developed alongside TAPSAP, which is used for processing and statistically analyzing raw TAP experimental data.

A primary goal of TAPsolver is to make new methods of TAP analysis easily accesable upon publication, leading to community driven development and the unification of workflows. If you have a new approach for processing TAP data and would like to implement it in TAPsolver, please read the Questions & Development section.

• Installation
• Documentation
• Examples
• Questions & Development

TAPsolver was developed through a colloboration between the Georgia Institute of Technology and Idaho National Lab. The publication associated with TAPsolver can be found here.

Financial support for the development of TAPsolver was provided by the U.S. Department of Energy (USDOE), Office of Energy Efficiency and Renewable Energy (EERE), Advanced Manufacturing Office Next Generation R&D Projects under contract no. DE-AC07-05ID14517.

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Copyright 2020 Battelle Energy Alliance, LLC

Licensed under the GPL-2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at

https://opensource.org/licenses/GPL-2.0

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This software is licensed under the terms you may find in the file named "LICENSE" in this directory.

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