Item
Owen, D. Des R
PawlowskyGlahn, Vera Egozcue, Juan JosÃ© Buccianti, Antonella Bradd, J.M. 

2016 August 5  
Isometric log ratios of proportions of major ions, derived from intuitive sequential binary partitions, are used to characterize hydrochemical variability within and between coal seam gas (CSG) and surrounding aquifers in a number of sedimentary basins in the USA and Australia. These isometric log ratios are the coordinates corresponding to an orthonormal basis in the sample space (the simplex). The characteristic proportions of ions, as described by linear models of isometric log ratios, can be used for a mathematicaldescriptive classification of water types. This is a more informative and robust method of describing water types than simply classifying a water type based on the dominant ions. The approach allows (a) compositional distinctions between very similar water types to be made and (b) large data sets with a high degree of variability to be rapidly assessed with respect to particular relationships/compositions that are of interest. A major advantage of these techniques is that major and minor ion components can be comprehensively assessed and subtle processesâ€”which may be masked by conventional techniques such as Stiff diagrams, Piper plots, and classic ion ratiosâ€”can be highlighted. Results show that while all CSG groundwaters are dominated by Na, HCO3, and Cl ions, the proportions of other ions indicate they can evolve via different means and the particular proportions of ions within total or subcompositions can be unique to particular basins. Using isometric log ratios, subtle differences in the behavior of Na, K, and Cl between CSG water types and very similar NaHCO3 water types in adjacent aquifers are also described. A complementary pair of isometric log ratios, derived from a geochemicallyintuitive sequential binary partition that is designed to reflect compositional variability within and between CSG groundwater, is proposed. These isometric log ratios can be used to model a hydrochemical pathway associated with methanogenesis and/or to delineate groundwater associated with high gas concentrations V. PawlowskyGlahn and J. J. Egozcue have been supported by the Ministerio de Econom Ä±a y Competitividad (â€˜â€˜CODARETOSâ€™â€™ (Ref. MTM201565016C21R; MINECO/FEDER, UE); and by the Generalitat de Catalunya (project AGAUR:COSDA:2009SGR424) 

application/pdf  
00431397 (versiÃ³ paper) 19447973 (versiÃ³ electrÃ²nica) 

http://hdl.handle.net/10256/13184  
eng  
American Geophysical Union (AGU)  
MINECO/PE 20162018/MTM201565016C21R AGAUR/20092014/2009 SGR 424 ReproducciÃ³ digital del document publicat a: http://dx.doi.org/10.1002/2015WR018386 Articles publicats (DIMA) 

Â© Water Resources Research, 2016, vol. 52, nÃºm. 8, p. 57715793  
Tots els drets reservats  
AnÃ lisi multivariable
Multivariate analysis Aigua  QuÃmica Water chemistry 

Compositional data analysis as a robust tool to delineate hydrochemical facies within and between gasbearing aquifers  
info:eurepo/semantics/article  
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