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Soil Science Annual

formerly Roczniki Gleboznawcze

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Use of Innovative and Advanced Computer Simulations of Chemical Speciation of Heavy Metals in Soils and Other Environmental Samples

Wykorzystanie zaawansowanych programów komputerowych do specjacji metali ciężkich w glebach i innych próbkach środowiskowych

Agnieszka Jeske
  • Corresponding author
  • Institute of Environmental Protection-National Research Institute, Krucza 5/11, 00-548, Warsaw, Poland
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Published Online: 2014-10-29 | DOI: https://doi.org/10.2478/ssa-2014-0010

Abstract

The article presents several aspects of computer simulations and models of heavy metals speciation in environmental samples. The methods can be effectively used in environmental sciences, soil science, and assessment of mobility and bioavailability of heavy metals in contaminated areas. The article presents all of the methods based on examples, and with interpretation of results. The effect depends on the reliability of data used in models. The results are essential for predicting the fate and behaviour of elements in the environment, and can also be used to develop solubility curves.

Streszczenie:

W pracy przedstawiono, wiele stosowanych z powodzeniem na całym świecie, komputerowych programów do specj acj i metali ciężkich w próbkach środowiskowych. Programy te mogąbyć stosowane w ocenie mobilności, toksyczności, biodo-stępności metali ciężkich lub podatności zanieczyszczeń na biodegradację. W pracy podano przykłady, zastosowanie oraz interpre-tacj ę wyników specj acj i metali ciężkich w próbkach środowiskowych. Ideą zastosowania takich programów j est otrzymanie modelu specj acyjnego, który pozwala na określenie (teoretyczne) w jakich formach występuje dany pierwiastek w badanej próbce środowiskowej (gleba, woda, osad) co jest niezwykle istotne ze środowiskowego punktu widzenia. Efekt końcowy zależy od wyboru odpowiednich, rzeczywistych danych wejściowych i zastosowania ich w modelu. Wyniki służą do przewidywania losu i zachowania pierwiastków w środowisku, ale także mogąbyć wykorzystane w tworzeniu, np. krzywych rozpuszczalności.

Key words:: chemical speciation; computer simulation; models; metals

Słowa kluczowe:: specj acj a; programy komputerowe; modelowanie; metale ciężkie

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About the article

Received: 2014-03-19

Accepted: 2014-06-30

Published Online: 2014-10-29


Citation Information: Soil Science Annual, ISSN (Online) 2300-4975, DOI: https://doi.org/10.2478/ssa-2014-0010.

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© 2014 Agnieszka Jeske. This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License. BY-NC-ND 3.0

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