ALBERT

Beschreibung: We present a new interface between the geochemical simulator PHREEQC and the open source language R. It represents a tool to flexibly and efficiently program and automate every aspect of geochemical modelling. The interface helps particularly to setup and run large numbers of simulations and visualise the results. Also profiting of numberless high-quality R extension packages, performing sensitivity analysis or Monte Carlo simulations becomes straightforward. Further, an algorithm to speedup reactive transport simulations starting from homogeneous or zone- homogeneous state is programmed and successfully evaluated through the interface. It proved effective and could therefore be included in any reactive transport simulator.

Beschreibung: We studied 40 artesian wells (AWs) in the Amu Darya Delta. These wells include high-salinity (∼ 52 g/l) and saline (5 – 24 g/l) waters but are mostly low-salinity waters (1.3 – 2.9 g/l). The low-salinity AWs cluster into three types, reflecting the variable mixing of different end-member solutes: (residual) brines and solutes deriving from silicate alteration, dissolution of limestone and dissolution of gypsum. The solutes are all undersaturated in calcite and gypsum, contain a substantial cation excess against dissolved inorganic carbon and are characterised by low Ca/SO4 ratios. On the basis of the hydrochemical mass budgets of model cases, we demonstrate that Na-rich Cl-brines (45-48%) and a Na2SO4-brine (30-47%) are the dominant solute components. The solutes derived from aluminium silicate alteration are minor components (7.3 – 19.4%). Even less important are solutes from limestone or gypsum dissolution (0.05 – 3.7%). These waters are unlikely to have originated from sediments hosting gypsum. The low-salinity AWs must have acquired their dominant hydrochemical signatures under non-equilibrium conditions between their remote (unknown) seepage areas and their discharge locations. This acquisition may have begun during the early hydrochemical groundwater evolution when meteoric or surface water passed the critical zone under an arid climate regime. Warmer saline AWs (∼40°C) hosted in deeper Cretaceous formations contain a high portion of NaCl-rich brine (85%) and some are saturated in gypsum. These waters were derived from fluids rising along faults from pre-Cretaceous strata. The high-salinity and relatively cold AWs discharge close to the retreating Aral Sea south of its western basin. These AWs are suboxic, and Si concentrations are very low. The AW hydrochemical signatures reflect the dissolution of halite and gypsum. We observed positive correlations between temperature, Br, B and Si. The temperature correlation with bromide likely documents the transformation of organically bound Br. The silica concentrations in low-salinity AWs southeast of the Aral Sea (eastern basin) are close to quartz saturation and define a chemical Si-geothermometer.