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For the calculation of complex neutral/ionized gas phase chemical equilibria,we present a semi-analytical versatile and efficient computer program, calledFastChem. The applied method is based on the solution of a system of couplednonlinear (and linear) algebraic equations, namely the law of mass action andthe element conservation equations including charge balance, in many variables.Specifically, the system of equations is decomposed into a set of couplednonlinear equations in one variable each, which are solved analyticallywhenever feasible to reduce computation time. Notably, the electron density isdetermined by using the method of Nelder and Mead at low temperatures. Theprogram is written in object-oriented C++ which makes it easy to couple thecode with other programs, although a stand-alone version is provided. FastChemcan be used in parallel or sequentially and is available under the GNU GeneralPublic License version 3 at https://github.com/exoclime/FastChem together withseveral sample applications. The code has been successfully validated againstprevious studies and its convergence behavior has been tested even for extremephysical parameter ranges down to 100 K and up to 1000 bar. FastChem convergesstable and robust in even most demanding chemical situations, which posedsometimes extreme challenges for previous algorithms.

monthly notices of the royal astronomical society

FastChem: A computer program for efficient complex chemical equilibrium  calculations in the neutral/ionized gas phase with applications to stellar  and planetary atmospheres