The role of speciation in environmental chemistry and the case for quality criteria

Batley, Graeme E.; Francesconi, Kevin A.; Maher, William A.

doi:10.1071/en09093

Cited by 5 publications

(5 citation statements)

References 13 publications

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“…The general concept of speciation applies to many chemical systems. It is most commonly used in the context of aqueous solutions (Batley et al, 2009). Typically, such solutions include natural water systems such as sea, river, ground and lake waters.…”

Section: Geochemical Speciation Modelingmentioning

confidence: 99%

Comparative Study of Geochemical Speciation Modeling Using Geodeling Software

Klunk¹,

Dasgupta²,

Schröpfer³

et al. 2019

PTQ

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Geochemical modeling is used to understand water-rock interactions that occur in the sedimentary basin. Activities of aqueous species are usually calculated using the Davies equation, Debye-Hückel equation, B-Dot or Newton-Raphson. We perform a comparative study of geochemical speciation using three different software: PHREEQCTM, Geochemist's WorkbenchTM (GWB) and GEODELING (own code). Details of each software are carefully analyzed, taking into account the distribution, mobility, and availability of chemical species in geological environments. We can observe very similar results in speciation when working with low-temperature systems. GWBTM, GEODELING employ an integrated system to define when to use Davies, Debye-Huckel or B-Dot equation, according to the value of the solution ionic strength. The utilization of GEODELING allows comparing the results with software GWBTM and PHREEQCTM with a high degree of acceptance for low temperatures. Soon to high temperatures, we need to be cautious in their use.

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Section: Geochemical Speciation Modelingmentioning

confidence: 99%

Comparative Study of Geochemical Speciation Modeling Using Geodeling Software

Klunk¹,

Dasgupta²,

Schröpfer³

et al. 2019

PTQ

View full text Add to dashboard Cite

show abstract

“…The concept of speciation is applied to several chemical systems and is most commonly applied in the case of aqueous solutions (Klunk et al, 2017;Batley et al, 2009). These aqueous solutions typically include natural water systems viz., sea, river, lake, and ground waters.…”

Section: Geochemical Speciation Modelingmentioning

confidence: 99%

Geochemical Speciation and Batch Mode Simulation in the Carbonate Depositional Environments

Klunk¹,

Dasgupta²,

Das³

et al. 2019

PTQ

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Geochemical modeling has been frequently used to understand and interpret water-rock interactions in sedimentary basins. Thermodynamic data, kinetic parameters, numerical methods, boundary history, and boundary conditions are factors affecting any geochemical modeling system. In the present study, we have attempted to establish a geochemical speciation model by comparing the interaction of formation water and carbonate rock in the carbonate depositional settings of Cambrian successions of Bachu and Tarim area. A comparative study of geochemical speciation has been performed using four different software: PHREEQCTM, GWBTM, TOUGHREACTTM, and GEODELING. GEODELING is a geochemical code simulator that we have developed, and the details are presented further in this work. All the software has been analyzed minutely, considering the distribution, mobility, and availability of chemical species in geological environments. Very similar results in speciation are observed while working with low-temperature systems. A discrepancy can be observed in the results while working with high temperatures. However, a thorough Newton-Raphson formulation, scaling of algebraic equations and master-species switching helps to reduce the possibility of failures of the numerical method used in PHREEQCTM.

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“…Some simple quality criteria have been proposed (Emons 2002, Batley et al 2009, Sturgeon and Francesconi 2009 and include the specifi cation of the requirements and determination of method characteristics. However, the quality of data in speciation studies is not always reported and some papers also do not stipulate quality assurance and quality control requirements for works published in speciation area (Batley et al 2009). In many works, the recovery of all species from the column can be considered one of the main problems.…”

Section: Quality Control Testing and Mass Balance In Environmental Anmentioning

confidence: 99%

“…Among the main analytes that have been studied, As, Hg, Pb and Sn species can be considered the most investigated and less frequently the species of Al, Bi, Cr, I, Sb, Se and V. The following aspects can be highlighted considering speciation analysis in environmental media: (i) the management and remediation of soils and waste are dependent on the biogeochemistry of a contaminant; (ii) the homeostatic control, metabolism, and detoxifi cation of essential and toxic elements are related to their chemical forms; (iii) the impact of human exposure to environmental samples depends on the species of contaminants in the sample; and (iv) the processes that will be applied in an environmental area or sample as well as the methods for its analysis are dependent on the species which are contaminating that area or sample (as, e.g., if the contaminant is organic or inorganic and its oxidation state) (Lobinski 1997, Hirner 2006. Therefore, due to the different toxicities and the specifi c impact of a given species, speciation analysis is required (Ellis and Roberts 1997, Feldmann et al 2009, Batley et al 2009). …”

Section: Introductionmentioning

confidence: 99%