Numerical modeling of toxic nonaqueous phase liquid removal from contaminated groundwater systems: mesh effect and discretization error estimation

Numerical modeling has now become an indispensable tool for investigating the fundamental mechanisms of toxic nonaqueous phase liquid (NAPL) removal from contaminated groundwater systems. Because the domain of a contaminated groundwater system may involve irregular shapes in geometry, it is necessary to use general quadrilateral elements, in which two neighbor sides are no longer perpendicular to each other. This can cause numerical errors on the computational simulation results due to mesh discretization effect. After the dimensionless governing equations of NAPL dissolution problems are briefly described, the propagation theory of the mesh discretization error associated with a NAPL dissolution system is first presented for a rectangular domain and then extended to a trapezoidal domain. This leads to the establishment of the finger‐amplitude growing theory that is associated with both the corner effect that takes place just at the entrance of the flow in a trapezoidal domain and the mesh discretization effect that occurs in the whole NAPL dissolution system of the trapezoidal domain. This theory can be used to make the approximate error estimation of the corresponding computational simulation results. The related theoretical analysis and numerical results have demonstrated the following: (1) both the corner effect and the mesh discretization effect can be quantitatively viewed as a kind of small perturbation, which can grow in unstable NAPL dissolution systems, so that they can have some considerable effects on the computational results of such systems; (2) the proposed finger‐amplitude growing theory associated with the corner effect at the entrance of a trapezoidal domain is useful for correctly explaining why the finger at either the top or bottom boundary grows much faster than that within the interior of the trapezoidal domain; (3) the proposed finger‐amplitude growing theory associated with the mesh discretization error in the NAPL dissolution system of a trapezoidal domain can be used for quantitatively assessing the correctness of computational simulations of NAPL dissolution front instability problems in trapezoidal domains, so that we can ensure that the computational simulation results are controlled by the physics of the NAPL dissolution system, rather than by the numerical artifacts. Copyright © 2014 John Wiley & Sons, Ltd.     

天山乌鲁木齐河融雪和河川径流的水文化学过程

研究结果表明, 含 Ｃａ Ｃ Ｏ３矿物的溶解作用在乌鲁木齐河源区居主导地位 尽管融雪径流的 “离子脉冲”作用可以释放峰值强度达 ３～４ 倍的 Ｓ Ｏ２４ 和 Ｎ Ｏ－３ 流, 并且引起了总控断面河川径流与之相像的“离子脉冲”现象,但河川径流仍然呈现弱碱性;河源区强烈的含 Ｓ矿物的氧化溶解作用,产生大量的 Ｈ＋ ,被含 Ｃａ Ｃ Ｏ３矿物的溶解作用所缓冲, 未引起河川径流的酸化乌鲁木齐河以冰川站为界, 以上地区的水文化学过程为矿物的侵蚀－ 溶解过程,以下则发生部分矿物的沉淀,如 Ｃａ Ｃ Ｏ３的沉淀 Ｃａ Ｃ Ｏ３ 的沉淀作用一定程度上又增强了河流的酸缓冲力      

敞开酸溶和偏硼酸锂碱熔ICP-MS法测定多金属矿中的稀土元素及铌钽锆铪

用电感耦合等离子体质谱法(ICP-MS)测定地质样品中的稀土及难熔元素,混合酸敞开酸溶法和碱熔融法是两种主要的溶样方法。但地质样品组分复杂,元素之间存在相互共生的现象,对于特殊元素、特殊样品用传统酸溶法会造成部分元素消解不完全,使测定结果不准确;而碱熔法的操作过程繁琐,且溶液盐度高,易产生基体干扰和堵塞仪器进样系统。本文改进了传统四酸和五酸体系,采用氢氟酸-硝酸-硫酸敞开酸溶体系,用国家一级标准物质制作标准曲线测定15种稀土元素,方法准确度(ΔlgC)为0.001～0.027。同时改进了偏硼酸锂碱熔法,样品用偏硼酸锂碱熔提取,加入氢氧化钠调节溶液至碱性条件,所测元素与偏硼酸锂共沉淀后过滤分离熔剂,再用硝酸复溶测定15种稀土元素及铌钽锆铪。两种溶样方法的测定值与认定值的相对误差为1.09%～9.30%。将混合酸敞开酸溶法测定稀土元素、偏硼酸锂碱熔法测定铌钽锆铪的结果与其他实验室密闭酸溶法相比,两组数据的相对偏差为0.13%～15.32%。本实验表明,混合酸敞开酸溶法适用于测定地质样品中的稀土元素,偏硼酸锂碱熔法不仅适用于测定地质样品中的稀土元素及铌钽锆铪,也适用于测定如古老高压变质岩石及铝含量高的样品中的铌钽锆铪。     

海南南部沿海地下水水文地球化学及成因

海岸带地下水的水文地球化学特征及其成因研究对海岸带地区地下水合理利用、保护和污染防治等具有重大意义。利用Piper图、矿物相平衡分析、离子比例系数和Gibbs分析,揭示了海南南部沿海黎安港Z1、三亚湾Z2和板桥Z3监测井在大、小潮时段地下水的水文地球化学过程、水岩交互作用、成矿趋势和地下水的成因。结果表明,Z1、Z2和Z3的地下水分别为盐水、淡水和极度咸水。水化学类型分别为Cl-Na型、HCO3·Cl-Na·Ca型和Cl-Na型。硬石膏、石膏和岩盐溶解是该区地下水中的主要离子来源。Z1和Z3的地下水来源与受蒸发浓缩控制型的高矿化度的海水紧密相关,Z2的水化学环境主要受含钠硅酸盐矿物的岩石风化溶解作用影响。研究结果为进一步开展海岸带地下水环境监测和污染防治提供基础资料。     

浅层地下水氟的溶解／沉淀作用的定量研究

以河北邢台山前平原浅层高氟地下水为例，根据氟的化学热力学分析，确定了控制浅层地下水中氟迁移和富集的固相沉淀物，以及不同化学类型的浅层地下水中含氟固相沉淀物的溶解／沉淀条件；利用浅层地下水化学平衡反应模型和ＰＨＲＥＥＱＥ软件，确定了氟化的稳定区域，计算了氟化钙的饱和指数．研究结果表明，在浅层高氟地下水的整个形成过程中，都表现为氟由固相转入水相的趋势，有利于氟的迁移和富集     

渤海湾西部声纳探测发现全新世埋藏槽谷

声波探测具有很高的分辨率和信号发射频度,可以获得高品质浅地层剖面,显示出沉积地层的结构与构造细节、斜层理等三角洲沉积标志特征。展示了渤海湾西部浅地层声纳探测原始记录。探测发现,在大沽口以东27km处存在一个以前不为人知的埋藏槽谷,涉及地层的时代为晚更新世末期与全新世中期。宽达几百米到1km,深约30m,走向北北西,形成时代距今约5000～6000a,可能代表了某种重大地质事件,其成因有溺谷充填和构造断陷2种可能。     

Dissolution characteristics of deep?buried dolostone in the Member 5 of Ordovician Majiagou Formation in southern Ordos Basin

The different types of deep-buried dissolution process in the Member 5 of Ordovician Majiagou Formation in the southern Ordos Basin and its influence on the reservoir properties are studied in this paper. It shows that three types of mechanisms include organic acid fluid, hydrothermal fluid and TSR are identified through studies of core observation, thin section analysis, inclusion temperature, trace elements and rare earth elements. It is found that the dissolution of organic acid fluid causes the stratified dissolution pores, film-like asphaltene and ring-like asphaltene, while hydrothermal fluid causes the non-selective dissolution pores without petrofabric, veins of pyrites, massive pyrites and the association of hypothermal minerals. Four occurrence models of dissolution include, (1) the deep-buried dissolution of low-temperature hydrothermal fluid occurs in Zhiluo Period of Middle Jurassic; (2) the deep-buried dissolution of organic acid fluid started from the late Middle Jurassic followed by the first hydrocarbon injection; (3) the deep-buried dissolution of middle-high temperature hydrothermal fluid occurred in the Dongsheng Period of Early Cretaceous; (4) TSR occurred at the end of Early Cretaceous with the second larger hydrocarbon injection. Both organic acid fluid and hydrothermal fluid can improve the porosity and permeability of reservoir, but the hydrothermal fluid is more effective than that of organic acid fluid.     

厚层覆盖区综合物化探方法找金试验研究——以广西兴安金石金矿为例

在兴安金石金矿外围 4号分散流异常区 ,通过地电化学提取金测量法 ,查明测区存在 5个走向规模小于 5 0 m的金异常区 ,W( Au) 最大值为 72 .4× 10 - 9,高出背景值十几倍 ,并藉综合土壤吸附汞测量 ,高精度磁测和激发极化法等多种物化探方法来确定这些异常区的地质、地球化学和地球物理特征 ,提出金矿成矿的有利部位在金的地电提取高异常区、高汞量异常区、高磁性异常区、低视电阻率异常区和中等视极化率异常区的“三高一低一中”的找矿模式。确定测区的北北东角 (右下角 )一带具备有利的金矿成矿条件     

不同温度、羧酸溶液中长石溶解模拟实验

报道了在100℃、140℃下微斜长石在不同羧酸溶液中的溶解实验数据。通过实验表明1)反应温度增高,可增强溶液中阳离子的活性和迁移性,加快长石溶解的反应速率,促进长石的溶解。2)在强酸性条件下,pH值的变化可影响长石的溶解。但在中等酸性条件下,pH值对长石的溶解影响很小。3)羧酸(乙二酸)可不同程度地促进长石溶解,可通过形成乙二酸络合物的形式,增加离子在溶液中的溶解度。但乙酸络合物的作用不明显。长石溶蚀导致岩石孔隙度变大,并且改善孔喉性质。同时,由于乙二酸络合物的存在,增加了Si在溶液中的溶解度,阻止了石英加大和其它成因SiO₂的生成,有利于次生孔隙和原生孔隙的保存。4)长石溶解使溶液中Al的浓度较高,但由于铝-羧酸络合物的亲油性比亲水性强,故有一部分Al被分配到油相中,这也是目前大多数油田水中Al浓度偏低的主要原因。     

Numerical modeling of three‐phase dissolution of underground cavities using a diffuse interface model

Natural evaporite dissolution in the subsurface can lead to cavities having critical dimensions in the sense of mechanical stability. Geomechanical effects may be significant for people and infrastructures because the underground dissolution may lead to subsidence or collapse (sinkholes). The knowledge of the cavity evolution in space and time is thus crucial in many cases. In this paper, we describe the use of a local nonequilibrium diffuse interface model for solving dissolution problems involving multimoving interfaces within three phases, that is, solid–liquid–gas as found in superficial aquifers and karsts. This paper generalizes developments achieved in the fluid–solid case, that is, the saturated case [1]. On one hand, a local nonequilibrium dissolution porous medium theory allows to describe the solid–liquid interface as a diffuse layer characterized by the evolution of a phase indicator (e.g., porosity). On the other hand, the liquid–gas interface evolution is computed using a classical porous medium two‐phase flow model involving a phase saturation, that is, generalized Darcy's laws. Such a diffuse interface model formulation is suitable for the implementation of a finite element or finite volume numerical model on a fixed grid without an explicit treatment of the interface movement. A numerical model has been implemented using a finite volume formulation with adaptive meshing (e.g., adaptive mesh refinement), which improves significantly the computational efficiency and accuracy because fine gridding may be attached to the dissolution front. Finally, some examples of three‐phase dissolution problems including density effects are also provided to illustrate the interest of the proposed theoretical and numerical framework. Copyright © 2014 John Wiley & Sons, Ltd.