Organisation of the Analytical, Stoichiometric, and Thermodynamic Information for water Chemistry Calculations
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Tartalom: http://mkweb.uni-pannon.hu/hjic/index.php/hjic/article/vi...
Archívum: MTA Könyvtár
Gyűjtemény: Status = Published


Type = Article
Cím:
Organisation of the Analytical, Stoichiometric, and Thermodynamic Information for water Chemistry Calculations
Létrehozó:
Földényi, Rita
Marton, Aurél
Dátum:
2015
Téma:
QD Chemistry / kémia
TD Environmental technology. Sanitary engineering / környezetvédelem, hulladékkezelés, egészségügyi mérnöki technika (ivóvízellátási és szennyvízkezelési technika)
Tartalmi leírás:
A common feature of the chemical processes of the hydrosphere and water
treatment plants is that essentially the same types of chemical equilibrium
reactions occur in both fields. These equilibria could be acid/base,
complexation, redox, precipitation, and interfacial processes. Since these
reactions may also occur in combination, the aqueous environments are
unavoidably multispecies systems. Due to multiple equilibria, the state of
aggregation, the state of oxidation, as well as the electric charge of the
species may changedramatically. Calculation of the equilibrium
concentration of the species is facilitated by the availability of analytical,
stoichiometric, and thermodynamic information that are consistently
organised into an ASTI matrix. The matrix makes it possible to apply a
uniform algebraic treatment for all occurring equilibria even, if later on,
further reactions have to be included in the chemical model. The use of the
ASTI matrix enables us to set up the necessary mass balance equations
and equilibrium relationships, which together form a non-linear system of
equations (NLSE). The goal of our paper is to show that the use of the ASTI
matrix approach in cooperation with the powerful engineering calculation
software, MATHCAD14, results in fast and easy handling of the NLSE-s
and, consequently, the calculations of speciation in aqueous systems. The
paper demonstrates the method of application in three examples: the
calculation of the pH dependence of the solubility of calcite in closed and
open systems, the calculation of the pH and p? in a system where
acid/base reactions, complexation equilibria, and redox equilibria occur,
and a study of adsorption of lead ions on aluminium oxide.
Típus:
Article
PeerReviewed
Formátum:
text
Azonosító:
Földényi, Rita and Marton, Aurél (2015) Organisation of the Analytical, Stoichiometric, and Thermodynamic Information for water Chemistry Calculations. HUNGARIAN JOURNAL OF INDUSTRY AND CHEMISTRY, 43 (1). pp. 33-38. ISSN 0133-0276
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