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Ecotoxicological Issues
These include a chemical reaction database and programs for serving it, program
for initial preparation of data, a solver unit, a program for tracing and
controlling the set of operating equations, a program of reduced kinetics, and
tools for representing results. The integrated user environment allows one to
operate with all these parts of the system.
Purification des Rejets Gazeux: utilisation d'une Base de Donnees de
Reactions Chimiques
RESUME
Pour proteger I' environnement, il est necessaire de se debarrasser des gaz rejetes
dans ['atmosphere et de reduire ainsi l' emission de substances toxiques. Durant ces
dernieres annees un effort considerable a ete fourni pour developper les methodes
a torche plasma pour eliminer les polluants. La source de plasma en desequilibre
agit sur les rejets gazeux et produit des composes chimiquement actifs. Ces
composes provoquent des reactions en chaine auxquelles participent les molecules
polluantes qui sont alors transformees en condenses et gaz non toxiques.
L'evolution dans Ie temps de la reactivite du systeme gazeux est tres importante
pour ce type d'application. Un logiciel pour resoudre Ie probleme de fa
degradation des toxiques contenus dans un flux gazeux a ete developpe. Celui-ci
comprend une base de donnees des reactions chimiques et un programme
d'interface, un programme de preparation des donnees, un module de resolution,
un programme pour tracer et controler ['ensemble des equations concernees, un
programme de cinhique et un outil de representation des resultats. Un
environnement utilisateur permet l'utilisation de chacun de ces modules de
maniere integree.
1 DATABASE
The database contains about 2000 reactions for nearly 200 organic and inorganic
substances. These substances are as follows: neutral components, electrons,
negative and positive ions, excited atoms and molecules, clusters, (which can be
formed from the elements N, 0, H, C, S), temperature dependent rate coefficients
and equilibrium constants are represented in the Arrhenius form for the most part.
Each reaction is given a reference and a remark if it is necessary.
The main sources of the data are [I, 2, 3, 4]. There are server programs for
working with the database: a program for inputting new data, a check program for
conservation of charge and number of elements in each reaction, programs for
ordering reactions and forming a list of all species which participate in them.
These programs use the ASCII file form of the database.
The database in internal format is created from a set of such ASCII files. The
internal Database contains only unique reactions. If an identical reaction is already
contained in it then the reaction will not be included. The information on all
reactions not included is saved in a special ASCII file.
Ecotoxicological Issues
These include a chemical reaction database and programs for serving it, program
for initial preparation of data, a solver unit, a program for tracing and
controlling the set of operating equations, a program of reduced kinetics, and
tools for representing results. The integrated user environment allows one to
operate with all these parts of the system.
Purification des Rejets Gazeux: utilisation d'une Base de Donnees de
Reactions Chimiques
RESUME
Pour proteger I' environnement, il est necessaire de se debarrasser des gaz rejetes
dans ['atmosphere et de reduire ainsi l' emission de substances toxiques. Durant ces
dernieres annees un effort considerable a ete fourni pour developper les methodes
a torche plasma pour eliminer les polluants. La source de plasma en desequilibre
agit sur les rejets gazeux et produit des composes chimiquement actifs. Ces
composes provoquent des reactions en chaine auxquelles participent les molecules
polluantes qui sont alors transformees en condenses et gaz non toxiques.
L'evolution dans Ie temps de la reactivite du systeme gazeux est tres importante
pour ce type d'application. Un logiciel pour resoudre Ie probleme de fa
degradation des toxiques contenus dans un flux gazeux a ete developpe. Celui-ci
comprend une base de donnees des reactions chimiques et un programme
d'interface, un programme de preparation des donnees, un module de resolution,
un programme pour tracer et controler ['ensemble des equations concernees, un
programme de cinhique et un outil de representation des resultats. Un
environnement utilisateur permet l'utilisation de chacun de ces modules de
maniere integree.
1 DATABASE
The database contains about 2000 reactions for nearly 200 organic and inorganic
substances. These substances are as follows: neutral components, electrons,
negative and positive ions, excited atoms and molecules, clusters, (which can be
formed from the elements N, 0, H, C, S), temperature dependent rate coefficients
and equilibrium constants are represented in the Arrhenius form for the most part.
Each reaction is given a reference and a remark if it is necessary.
The main sources of the data are [I, 2, 3, 4]. There are server programs for
working with the database: a program for inputting new data, a check program for
conservation of charge and number of elements in each reaction, programs for
ordering reactions and forming a list of all species which participate in them.
These programs use the ASCII file form of the database.
The database in internal format is created from a set of such ASCII files. The
internal Database contains only unique reactions. If an identical reaction is already
contained in it then the reaction will not be included. The information on all
reactions not included is saved in a special ASCII file.