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Manuscript Title: PLASMAKIN: a chemical kinetics library for plasma physics modeling.
Authors: N.R. Pinhao
Program title: PLASMAKIN
Catalogue identifier: ADNH_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 135(2001)105
Programming language: Fortran.
Computer: Alpha Workstations, PC.
Operating system: Tru64, Windows NT, Linux.
RAM: .5K words
Word size: 32
Supplementary material: PLASMAKIN manual
Keywords: Electrical discharges, Plasma physics, Chemical kinetics, Reactions chemical, Gaseous electronics, Cold plasma, Kinetic model, Molecular physics.
Classification: 16.12, 19.8.

Nature of problem:
A large number of problems in plasma physics involves the consideration of several chemical species and reactions. The solution of such problems invariably requires the ability to read, classify, sort and manipulate particles and reactions and, frequently, the evaluation of source terms in chemical kinetic equations, the energy transferred by the electrons to the other particles, the gas heating due to collisions or the photon emission spectra. The handling of these data frequently represents a significant fraction of codes, development and maintenance time and is a source of errors. It would clearly be advantageous to have a package able to deal with that data independently of the number or nature of the species and chemical reactions involved and of the problem being solved or the method used. Such a package could be used as a "black box" moving the description of particles and reactions from code to a data file, allowing the user to concentrate on the physical problem and on the algorithm to solve it. Once the code developed, it would allow an easy and fast modification and testing of chemical models.

Solution method:
The present library handles chemical species and reactions and computes the collision terms for particle and energy conservation equations. The species and reactions are described in an ASCII external data file using a compact description language. Species properties, reaction data and the evaluation of the collisional terms of the conservation equations are hidden from the calling programs allowing to build programs independent of the gas mixture or kinetic model. The included test program uses a modified Powell hybrid algorithm to solve systems of nonlinear equations.

The maximum number of reactants or products taking part in a reaction has been limited to four; however this number can be changed modifying a parameter constant. Ionic excited species are not supported; three body collisions and surface reactions do not support the selection of different species as, respectively, third body or adsorbed reacting atom.

Unusual features:
Sample program uses routine DNEQNF from IMSL library.

Running time:
Largely dependent on the problem, the test program takes some seconds.