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11.
Laura J. Wasch Mariëlle Koenen Jens Wollenweber Tim J. Tambach 《Greenhouse Gases: Science and Technology》2015,5(3):323-338
To ensure the safety of a CO2 storage site and containment of CO2 in the subsurface, the integrity of wellbore materials must be maintained. Field and laboratory studies have shown CO2‐induced reactivity of wellbore cement, but these results have to be extrapolated to the extended time span of CO2 storage. Geochemical modeling provides a tool for the prediction of cement alteration; however, large uncertainties in input parameters exist and significant variation in subsurface conditions is expected. This asks for a systematic investigation of the sensitivity of modeled cement alteration towards these factors. In this paper we report PHREEQC simulations of CO2 diffusion into cement and subsequent chemical reactions. The sensitivity of cement alteration toward reaction rates, initial porosity, temperature/mineralogy and flow/no flow conditions were investigated. The base case model indicated that intact cement and tight interfaces between the reservoir and the cement would yield less than 1% porosity change after 300 days of diffusion. For porosity increase or degradation to occur at the cement interface, leaching/flow along the wellbore was required. The sensitivity scenarios yield CO2 penetration depths between 0.3 cm and 1.4 cm after 300 days of diffusion. The maximum was reached for the high porosity (fast diffusion) scenario that facilitates CO2 transport through the cement matrix. The minimum CO2 penetration was for enhanced calcium silicate hydrate (C‐S‐H) decalcification, which increases calcite precipitation, CO2 consumption, and hence decelerates CO2 penetration. This is related to high temperatures (and more crystalline C‐S‐H) or to higher kinetic rate constants used. © 2015 Society of Chemical Industry and John Wiley & Sons, Ltd 相似文献
12.
Arsenic (As)-contaminated wastewater and groundwater pose a pressing environmental issue and worldwide concern. Adsorption of As using TiO2 materials, in combination with filtration, introduces a promising technology for the treatment of As-contaminated water. This review presents an overview on the recent progress of the application of TiO2 for removal of As from wastewater and groundwater. The main focus is on the following three pressing issues that limit the field applications of TiO2 for As removal: coexisting ions, simulation of breakthrough curves, and regeneration and reuse of spent TiO2 materials. We first examined how the coexisting ions in water, especially high concentrations of cations in industrial wastewater, affect the efficacy of As removal using the TiO2 materials. We then discussed As breakthrough curves and the effect of compounded ions on the breakthrough curves. We successfully simulated the breakthrough curves by PHREEQC after integrating the CD-MUSIC model. We further discussed challenges facing the regeneration and reuse of TiO2 media for practical applications. We offer our perspectives on remaining issues and future research needs. 相似文献
13.
地下水回补过程中,含水层沉积物中部分微量组分(As、F等)可能因为环境条件改变释放进入地下水中造成次生污染.为探究回补入渗后含水层F-释放的次生风险,依托潮白河南水北调回补区及我国北方8个具有高F地下水的典型区域,应用PHREEQC软件模拟回补入渗对含水层萤石矿物溶解平衡及地下水F-浓度的影响.研究含水层沉积物典型矿物组分、回补水源与地下水水质差异对F-释放次生风险的控制作用.结果表明:①由于回补水源水质、地下水水质及含水层矿物差异,回补后不同地区地下水中F-浓度的呈现趋势有显著差异,部分地区由于地下水水质差异大,F-浓度存在上升及下降两种趋势.②地下水Ca2+浓度相对较低的区域回补后F-浓度呈下降趋势,增大回补量有利于降低F-释放风险,而对于Ca2+浓度高、甚至萤石饱和的区域,增大回补量会增加F-释放风险.③地下水中F-浓度同时受到萤石及其他含钙矿物的控制,当含水层存在萤石矿物且其他含钙矿物较少时,回补后F-释放的风险增大.因此在具有F背景的区域,对地下水Ca2+浓度较高的含水层或除萤石外含钙矿物含量有限的含水层进行回... 相似文献
14.
Carboxymethyl-beta-cyclodextrin (CMCD) has been proposed for remediation of metal-contaminated sediments. This research presents stability constants for CMCD-lead complexes, and demonstrates a rigorous methodology for estimating stability constants for metal-complexing agents. The conditional stability constant for the lead-CMCD aqueous complex was determined to be 10(5.18) with the 95% confidence interval ranging from 10(5.14) to 10(5.22). The best fit for experimental data was made by assuming a reaction between divalent CMCD(2-) and Pb(2+) and using the WATEQ activity coefficient formulation. The optimized value was derived from experimental data with the geochemical model PHREEQC coupled to UCODE_2005, a parameter optimization program. Like FITEQL, UCODE has a built-in option to optimize parameter values by minimizing the weighted sum of squared residuals (WSSR). However, our approach not only allows rapid, automatic optimization of the stability constant, but also allows determination of uncertainties in estimated parameter values and statistical analysis to assess the appropriateness of the conceptual model. The automation of the process allows testing of multiple conceptual models and the final values produced are internally consistent with the PHREEQC database. In this case five different conceptual models to describe the metal complexation and protonation reactions of CMCD were considered. 相似文献
15.
为揭示溶液物化参数对磷酸铵镁结晶工艺回收氮、磷的影响,利用地球化学水质模型程序PHREEQC 2.11计算了涵盖实际工况条件下可能存在的溶液体系的磷酸铵镁饱和度指数,对溶液组分的浓度效应进行了模型化热力学评估.模拟溶液体系含磷10～00 mg·L-1、镁24～720 mg·L-1,其氨氮与磷的摩尔比为1～40,温度为25℃,pH值为6.0～12.0.计算结果表明,磷酸铵镁的饱和度指数与氮、磷、镁的质量浓度分别呈对数函数关系,并随任何一个因子的增大而增大;与溶液pH值呈多项式函数关系,结晶反应的最佳pH值为9.0,并随溶液中氨氮与磷摩尔比的增大而略升;此外,磷酸铵镁的饱和度指数与溶液离子强度呈幂函数关系,随离子强度的增大而减小.适当调节溶液的镁盐浓度和控制溶液pH值,是调控磷酸铵镁结晶反应,实现氮、磷回收的2种主要手段. 相似文献
16.
Inverse geochemical modeling from PHREEQC, and multivariate statistical methods were jointly used to define the genetic origin of chemical parameters of groundwater from the Voltaian aquifers in the Afram Plains area. The study finds, from hierarchical cluster analysis that there are two main hydrochemical facies namely the calcium-sodium-chloride-bicarbonate waters and the magnesium-potassium-sulfate-nitrate waters in the northern and southern sections, respectively, of the Afram Plains area. This facies differentiation is confirmed by the distribution of the SO(4)(2-)/Cl(-) ratio, which associates groundwater from the northern and southern sections to areas influenced by contact with evaporites and seawater, respectively. Principal component analysis (PCA) with varimax rotation using the Kaiser criterion identifies four principal sources of variation in the hydrochemistry. Mineral saturation indices calculated from both major ions and trace elements, indicate saturation-supersaturation with respect to calcite, aragonite, k-mica, chlorite, rhodochrosite, kaolinite, sepiolite, and talc, and undersaturation with respect to albite, anorthite, and gypsum in the area. Inverse geochemical modeling along groundwater flowpaths indicates the dissolution of albite, anorthite and gypsum and the precipitation of kaolinite, k-mica, talc, and quartz. Both the PCA and inverse geochemical modeling identify the incongruent weathering of feldspars as the principal factors controlling the hydrochemistry in the Afram Plains area. General phase transfer equations have been developed to characterize the geochemical evolution of groundwater in the area. A very good relationship has been established between calcite and aragonite saturation indices in the Afram Plains area, with R(2)=1.00. 相似文献