Towards a common thermodynamic database for speciation models
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| 003 | CHVBK | ||
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| 008 | 161128e20041101xx s 000 0 eng | ||
| 024 | 7 | 0 | |a 10.1524/ract.92.9.811.54998 |2 doi |
| 035 | |a (NATIONALLICENCE)gruyter-10.1524/ract.92.9.811.54998 | ||
| 245 | 0 | 0 | |a Towards a common thermodynamic database for speciation models |h [Elektronische Daten] |c [Jan van der Lee, Claire Lomenech] |
| 520 | 3 | |a Bio-geochemical speciation models and reactive transport models are reaching an operational stage, allowing simulation of complex dynamic experiments and description of field observations. For decades, the main focus has been on model performance but at present, the availability and reliability of thermodynamic data is the limiting factor of the models. Thermodynamic models applied to real and complex geochemical systems require much more extended thermodynamic databases with many minerals, colloidal phases, humic and fulvic acids, cementitious phases and (dissolved) organic complexing agents. Here we propose a methodological approach to achieve, ultimately, a common, operational database including the reactions and constants of these phases. Provided they are coherent with the general thermodynamic laws, sorption reactions are included as well. We therefore focus on sorption reactions and parameter values associated with specific sorption models. The case of sorption on goethite has been used to illustrate the way the methodology handles the problem of inconsistency and data quality. | |
| 540 | |a © 2004 Oldenbourg Wissenschaftsverlag GmbH | ||
| 690 | 7 | |a Laboratory techniques, experiments |2 nationallicence | |
| 690 | 7 | |a Analytical chemistry |2 nationallicence | |
| 690 | 7 | |a Inorganic chemistry |2 nationallicence | |
| 700 | 1 | |a van der Lee |D Jan |4 aut | |
| 700 | 1 | |a Lomenech |D Claire |4 aut | |
| 773 | 0 | |t Radiochimica Acta/International journal for chemical aspects of nuclear science and technology |d Oldenbourg Wissenschaftsverlag GmbH |g 92/9-11/2004(2004-11-01), 811-818 |x 0033-8230 |q 92:9-11/2004<811 |1 2004 |2 92 |o ract | |
| 856 | 4 | 0 | |u https://doi.org/10.1524/ract.92.9.811.54998 |q text/html |z Onlinezugriff via DOI |
| 908 | |D 1 |a research article |2 jats | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1524/ract.92.9.811.54998 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a van der Lee |D Jan |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Lomenech |D Claire |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Radiochimica Acta/International journal for chemical aspects of nuclear science and technology |d Oldenbourg Wissenschaftsverlag GmbH |g 92/9-11/2004(2004-11-01), 811-818 |x 0033-8230 |q 92:9-11/2004<811 |1 2004 |2 92 |o ract | ||
| 900 | 7 | |b CC0 |u http://creativecommons.org/publicdomain/zero/1.0 |2 nationallicence | |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-gruyter | ||