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The Lower Cretaceous presalt section of the Kwanza Basin (Angola) is in the spotlight following the discoveries of petroleum systems in this basin, and more generally in the South Atlantic. These systems are mostly composed of continental carbonates in close association with volcanic rocks. This work is focused on the study of an offshore Kwanza presalt volcanic sequence characterized as Valanginian trachytic subaerial lava flows. A detailed petrological analysis of the altered trachyte in association with fluid inclusion microthermometry was conducted in order to depict the initial mineralogy (albite, sanidine, titanomagnetite) and obtain a paragenetic sequence (quartz, siderite, kaolinite, calcite). Thermodynamic equilibrium modelling of the trachytes alteration by meteoric fluids, over a range of temperatures (25 °C–200 °C) and CO2 partial pressure (pCO2: 0.01 mbar to 100 bar), were performed with PHREEQC, and compared to the observed paragenetic sequence. Some numerical simulations reflect the observed paragenesis. As a result, the pCO2 is constrained by the occurrence of siderite (from 0.1 bar at 50 °C to 30 bar at 125 °C) and kaolinite (from 0.2 bar at 50 °C to 1.2 bar at 125 °C). The simulations emphasize the need for a high pCO2 in the hydrothermal system, to achieve the observed trachyte transformation. After reaching equilibrium with the trachytes, the simulated fluids highlight a mid-alkaline to near neutral pH with high Fe, HCO3+CO3, and alkali concentrations. The palaeofluids could have evolved from Ca- and Mg-rich to Ca- and Mg-poor with increasing temperature. Inversely, Si concentrations are positively correlated with increasing temperatures. This methodology, integrating a petrological approach and numerical simulations, proves to be a powerful tool leading to better understanding of the proxies (pCO2, temperature, redox conditions) controlling paragenesis. To push further, these simulations are also a step toward improved understanding of palaeofluid evolutions in presalt systems and better prediction of reservoir quality. 相似文献
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氯化物对方解石和白云石矿物溶解度的影响 总被引：12，自引：1，他引：11
借助PHREEQC软件,文章对方解石、白云石分别在无CO2和大气PCO2条件下NaCl、KCl、CaCl2和MgCl2溶液中的溶解度进行了模拟计算,结果显示:方解石在NaCl、KCl、和MgCl2溶液中以及白云石在NaCl、KCl溶液中的溶解度比纯水中大得多,其原因主要是盐效应。由于同离子效应,在CaCl2溶液中可降低方解石溶解度,而白云石在较高浓度CaCl2或MgCl2溶液中,虽发生同离子效应,其溶解度仍较纯水中有不同程度提高。模拟还显示,方解石在MgCl2溶液中以及白云石在CaCl2溶液中溶解时将分别发生白云石化和去白云石化反应,从而促使不全等溶解继续发生。在常规离子中,按方解石、白云石溶解度提高发挥作用的重要性排序为:阴离子中都是SO24->Cl-;对于方解石溶解,阳离子中Mg2+>Na+>K+>Ca2+;对于白云石溶解,当PCO2=0或PCO2=10-3.5bar且CaCl2浓度大约在1.5mol/L以下时,Na+>K+>Ca2+>Mg2+;当PCO2=10-3.5bar且CaCl2浓度大约在1.5mol/L以上时,Ca2+>Na+>K+>Mg2+。 相似文献
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Arsenic (As) mobilization and contamination of groundwater affects millions of people worldwide. Progress in developing effective in-situ remediation schemes requires the incorporation of data from laboratory experiments and field samples into calibrated geochemical models.In an oxidizing aquifer where leaching of high pH industrial waste from unlined surface impoundments led to mobilization of naturally occurring As up to 2 mg L−1, sequential extractions of solid phase As as well as, batch sediment microcosm experiments were conducted to understand As partitioning and solid-phase sorptive and buffering capacity. These data were combined with field data to create a series of geochemical models of the system with modeling programs PHREEQC and FITEQL. Different surface complexation modeling approaches, including component additivity (CA), generalized composite (GC), and a hybrid method were developed, compared and fitted to data from batch acidification experiments to simulate potential remediation scenarios. Several parameters strongly influence the concentration of dissolved As including pH, presence of competing ions (particularly phosphate) and the number of available sorption sites on the aquifer solids. Lowering the pH of groundwater to 7 was found to have a variable, but limited impact (<63%) on decreasing the concentration of dissolved As. The models indicate that in addition to lowering pH, decreasing the concentration of dissolved phosphate and/or increasing the number of available sorption sites could significantly decrease the As solubility to levels below 10 μg L−1. The hybrid and GC modeling results fit the experimental data well (NRMSE<10%) with reasonable effort and can be implemented in further studies for validation. 相似文献
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In order to understand and mitigate the deterioration of water quality in the aquifer system underlying Guadalajara metropolitan area, an investigation was performed developing geochemical evolution models for assessment of groundwater chemical processes. The models helped not only to conceptualize the groundwater geochemistry, but also to evaluate the relative influence of anthropogenic inputs and natural sources of salinity to the groundwater. Mixing processes, ion exchange, water–rock–water interactions and nitrate pollution and denitrification were identified and confirmed using mass-balance models constraint by information on hydrogeology, groundwater chemistry, lithology and stability of geochemical phases. The water–rock interactions in the volcanic setting produced a dominant NaHCO3 water type, followed by NaMgCaHCO3 and NaCaHCO3. For geochemical evolution modeling, flow sections were selected representing recharge and non-recharge processes and a variety of mixing conditions. Recharge processes are dominated by dissolution of soil CO2 gas, calcite, gypsum, albite and biotite, and Ca/Na exchange. Non-recharge processes show that the production of carbonic acid and Ca/Na exchange are decreasing, while other minerals such as halite and amorphous SiO2 are precipitated. The origin of nitrate pollution in groundwater are fertilizers in rural plots and wastewater and waste disposal in the urban area. This investigation may help water authorities to adequately address and manage groundwater contamination. 相似文献
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The selective radius shift model was used to relate changes in mineral volume due to precipitation/dissolution reactions to changes in hydraulic properties affecting flow in porous media. The model accounts for (i) precipitation/dissolution taking place only in the water-filled part of the pore space and further that (ii) the amount of mineral precipitation/dissolution within a pore depends on the local pore volume. The pore bundle concept was used to connect pore-scale changes to macroscopic soil hydraulic properties. Precipitation/dissolution induces changes in the pore radii of water-filled pores and, consequently, in the effective porosity. In a time step of the numerical model, mineral reactions lead to a discontinuous pore-size distribution because only the water-filled pores are affected. The pore-size distribution is converted back to a soil moisture characteristic function to which a new water retention curve is fitted under physically plausible constraints. The model equations were derived for the commonly used van Genuchten/Mualem hydraulic properties. Together with a mixed-form solution of Richards’ equation for aqueous phase flow, the model was implemented into the geochemical modelling framework PHREEQC, thereby making available PHREEQC’s comprehensive geochemical reactions. Example applications include kinetic halite dissolution and calcite precipitation as a consequence of cation exchange. These applications showed marked changes in the soil’s hydraulic properties due to mineral precipitation/dissolution and the dependency of these changes on water contents. The simulations also revealed the strong influence of the degree of saturation on the development of the saturated hydraulic conductivity through its quadratic dependency on the van Genuchten parameter α. Furthermore, it was shown that the unsaturated hydraulic conductivity at fixed reduced water content can even increase during precipitation due to changes in the pore-size distribution. 相似文献
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M. Adler C. Hensen S. Kasten H. D. Schulz 《International Journal of Earth Sciences》2000,88(4):641-654
Pore water concentration profiles of sediments at a site on the Amazon Fan were investigated and simulated with the numerical
model CoTReM (column transport and reaction model) to reveal the biogeochemical processes involved. The pore water profiles
for gravity core GeoB 4417-7 showed a distinct sulfate–methane transition zone in which deep sulfate reduction occurs. Only
a small sulfide peak could be observed at the reaction zone. Due to high amounts of iron minerals, the produced sulfide is
instantaneously precipitated in form of iron sulfides. We present a simulation which starts from a steady state system with
respect to pore water profiles for methane and sulfate. Furthermore, sulfide, iron, pH, pE, calcium and total inorganic carbon
(TIC) were included in the simulation. The program calculated mineral equilibria to mackinawite, iron sulfides (more stable
than mackinawite), iron hydroxides and calcite via saturation indices (SI) by a module incorporating the program PHREEQC (Parkhurst
1995). The measured sulfide and iron profiles are obtained in the simulation output by using a constant SI (=0) for mackinawite
and calcite, while a depth dependent SI distribution is applied for the PHREEQC phases “Pyrite” and “Fe(OH)3(a)”, representing
a composition and the kinetics of different iron sulfides and iron hydroxides. These SI distributions control the results
of sulfide and iron pore water profiles, especially conserving the sulfide profile at the reaction zone during the simulation.
The results suggest that phases of iron hydroxides are dissolved, mackinawite is precipitated within, and other iron sulfides
are precipitated below the reaction zone. The chemical reactivity of iron hydroxides corresponds to the rate of sulfide production.
The system H2O–CO2–CaCO3 is generally successfully maintained during the simulation. Deviations to the measured pH profile suggest that further processes
are active which are not included in the simulation yet.
Received: 9 November 1998 / Accepted: 26 October 1999 相似文献
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The Agua Negra drainage system (30 12′S, 69 50′ W), in the Argentine Andes holds several ice‐ and rock‐glaciers, which are distributed from 4200 up to 6300 m a.s.l. The geochemical study of meltwaters reveals that ice‐glaciers deliver a HCO3?? Ca2+ solution and rock‐glaciers a SO42?? HCO3?? Ca2+ solution. The site is presumably strongly influenced by sublimation and dry deposition. The main processes supplying solutes to meltwater are sulphide oxidation (i.e. abundant hydrothermal manifestations), and hydrolysis and dissolution of carbonates and silicates. Marine aerosols are the main source of NaCl. The fine‐grained products of glacial comminution play a significant role in the control of dissolved minor and trace elements: transition metals (e.g. Mn, Zr, Cu, and Co) appear to be selectively removed from solution, whereas some LIL (large ion lithophile) elements, such as Sr, Cs, and major cations, are more concentrated in the lowermost reach. Daily concentration variation of dissolved rare earth elements (REE) tends to increase with discharge. Through PHREEQC inverse modelling, it is shown that gypsum dissolution (i.e. sulphide oxidation) is the most important geochemical mechanism delivering solutes to the Agua Negra drainage system, particularly in rock‐glaciers. At the lowermost reach, the chemical signature appears to change depending on the relative significance of different meltwater sources: silicate weathering seems to be more important when meltwater has a longer residence time, and calcite and gypsum dissolution is more conspicuous in recently melted waters. A comparison with a non‐glacierized semiarid drainage of comparable size shows that the glacierized basin has a higher specific denudation, but it is mostly accounted for by relatively soluble phases (i.e. gypsum and calcite). Meltwater chemistry in glacierized arid areas appears strongly influenced by sublimation/evaporation, in contrast with its humid counterparts. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献