Some Mathematical and Computational Problems in Reactive Flow

We present an overview of several applications of reactive flow and transport in which interesting mathematical issues and computational challenges arise. The topics include front propagation through porous media in the presence of dispersion; numerical simulation of large-scale reactive transport problems; the reliability of processes that involve in-situ generation of viscosifying agents; methods for describing pore-scale geometry in granular media; and the information content of reactive tracer experiments. The intent of this survey is to heighten awareness of underlying mathmetical aspects and, it is hoped, to stimulate new contributions in these areas.     

地下水中氯代烃的格栅水处理技术

挥发性氯代烃是地下水中检出率较高的有机污染物 ,同时也是饮用水氯气消毒的副产物 ,而它对人体的危害也已经得到了USEPA等机构的认同。文中主要从格栅材料、降解机理、影响还原性脱氯效率的因素、实际工程中应注意的问题以及发展方向等方面 ,对地下水中挥发性氯代烃的处理技术进行了阐述 ,介绍了格栅处理地下水中挥发性氯代烃的最新进展和实际意义 ,提出了格栅系统的实际应用潜力和存在的问题 ,特别是双金属系统的催化机理和催化剂失活问题 ,给国内这方面的研究者提供思路。     

MgO活性及其在MgCl2溶液中溶度的研究

测定了不同MgO的碘值和比表面积 ,给出了MgO活性与煅烧温度之间的关系式。研究了MgO活性、煅烧温度、溶解温度和MgCl2 浓度等对MgO溶解的影响。并讨论了活性MgO在含不同硼碱比 [n(B2 O3) :n(MgO) =n]的MgCl2 溶液中形成硼酸镁盐过饱和溶液与增溶的MgO关系。     

汝城地区晚中生代火山岩地球化学特征及其对源区属性的指示

湘东南汝城地区发育一套由基性玄武岩和中酸性安山质-英安质岩石组成的火山岩建造,属于低钾拉斑系列,该火山岩系中两个玄武岩的K-Ar年龄分别为124.5±2.5Ma和127.6±1.9Ma,属晚侏罗—早白垩世产物。在主、微量元素上两者成分存在明显差异。其中安山质-英安质岩石具有高MgO特征,属高MgO岩石,LILE富集、Nb-Ta、Sr-P亏损强烈,(La/Yb)N=6.7～7.9,Eu*/Eu=0.74～0.85,具岛弧型微量元素配分型式,87Sr/86Sr(t)=0.71079～0.71118,εNd(t)=-7.64～-8.16,与adakites高Mg岩石有着明显的差别,可能是富集岩石圈地幔熔融后直接分异的产物;玄武岩LILE富集,Nb-Ta富集,(La/Yb)cn=4.0～4.3,Eu*/Eu=1.00～1.16,具OIB型微量元素配分型式,87Sr/86Sr(t)=0.70812～0.70832,εNd(t)=0.48～1.03,其源区具二元混合趋势,其源区可能是富集型岩石圈地幔端员与亏损的软流圈地幔端员的混合产物。汝城地区晚中生代玄武岩和高Mg安山质-英安质岩石源区属性的限定及其相互的空间依存关系表明该区晚中生代时有着较薄的岩石圈厚度,处于岩石圈伸展减薄的大地构造背景。     

Remediation of TCE-contaminated groundwater using zero valent iron and direct current: experimental results and electron competition model

The objectives of this study are to design an optimal electro-enhanced permeable reactive barrier (E2PRB) system for the remediation of trichloroethylene (TCE)-contaminated water using zero valent iron (ZVI) and direct current (DC) and to investigate the mechanisms responsible for TCE degradation in different ZVI-DC configurations. A series of column experiments was conducted to evaluate the effect of different arrangements of electrodes and ZVI barriers in the column on the TCE removal capacity (RC). In twelve different combinations of ZVI and/or DC application in the test columns, the rate of reductive dechlorination of TCE was improved up to six times with simultaneous application of ZVI and DC compared to that using ZVI only. The most effective arrangement of electrode and ZVI for TCE removal was the column set with ZVI and a cathode installed at the down gradient. Based on the electrokinetic study for the column systems with only DC input, single acid front movement could explain different RCs. An enhanced dechlorination rate of TCE using E2PRB systems, compared to a conventional PRB system, was observed, and is considered to be attributed to more electron sources: (1) external DC, (2) electrolysis of water, (3) oxidation of ZVI, (4) oxidation of dissolved Fe²⁺, (5) oxidation of molecular hydrogen at the cathode, and (6) oxidation of Fe²⁺ in mineral precipitates. Each of these electron sources was evaluated for their potential influencing the TCE RC through the electron competition model and energy consumption. A strong correlation between the quantity of electrons generated, RC, and the energy-effectiveness was found.     

MEASUREMENTS OF REACTIVE NITROGEN SPECIES IN THE EASTERN CHINA DURING THE EXPERIMENT PEM-WEST A

Measurements of NO_x(NO+NO_2),HNO_3,particulate nitrate,and total odd nitrogen NO_y were made at Linatmosphere regional background station during the NASA GTE/PEM-WEST A in the fall of 1991.NO_x and Nwere measured using chemiluminescence detectors.HNO_3 and aerosol nitrate(NO_3~-)were collected by a filter systNO_x concentration exhibits a significant diurnal variation:maximum occurring in the evening and postsunrise wpeak occurring following sunrise.Unlike NO_x,NO_y does not show distinct diurnal variations.From the ratiosday/night NO_x concentration and the diurnal cycles of two kinds of weather conditions,it is clear thatphotochemical production of NO_x varies with solar radiation.NO_x is the major component of total odd nitroNO_y and NO_2 is the major portion of NO_x as well.The regional background concentrations of NO_x,NO_y,aerosoltrate(NO_3~-)and HNO_3 range from 4.77 to 7.02 ppb,9.24 to 10.95 ppb,0.33 to 2.38 ppb and 0.31 to 0.97 ppb in a dayaverage,respectively.In the eastern China,the biomass burning is an important local emission source of nitrospecies.The ratios of NO/NO_2,NO_x/NO_y,HNO_3/NO_y,NO_3~-/NO_y and HNO_3/NO_x are also discussed inpaper.     

牡蛎壳改性及联合释氧复合材料修复地下水氨氮污染实验研究

为研究以牡蛎壳-释氧复合材料为填料的渗透反应格栅去除地下水氨氮污染的效果及其经济实用性,开展了相关室内实验:采用高温加热方式对牡蛎壳进行改性,通过测定牡蛎壳改性后的比表面积判定其吸附效果;以过氧化钙为释氧化合物,将其与水泥、石英砂/牡蛎壳粒、钙基膨润土以一定比例混合制成粒径约1.8 cm球型释氧材料,采用静态实验研究不同原料配比的释氧材料的释氧性能;最后研究了两种不同粒径牡蛎壳粒-释氧复合材料修复地下水氨氮的效果及不同供氧方式下不同吸附材料修复地下水氨氮的效果及其经济实用性。结果表明:对牡蛎壳粒进行高温改性,牡蛎壳粒高温条件下会产生团聚现象,比表面积随煅烧温度升高呈下降趋势,高温改性方式并不能有效改善牡蛎壳粒吸附性能;实验中制作的释氧材料在95天的实验期间,各实验柱的溶解氧量可以保持在18 mg/L左右,且在嗜碱菌作用下pH值得以有效降低,所制作的释氧材料可为硝化细菌长期在溶解氧低的地下水环境中生长提供氧气;以牡蛎壳-释氧复合材料为填料的渗透反应格栅通过耐碱硝化细菌的硝化作用可以将氨氮浓度从50 mg/L降至约35 mg/L,不同粒径牡蛎壳粒修复效果差异不明显。使用牡蛎壳-释氧复合材料渗透反应格栅长期修复地下水氨氮,不仅可以达到活性炭及沸石作为骨架的修复效果,而且更加具有经济实用性。     

硫酸氢铵与石棉尾矿混合焙烧浸取MgO过程分析

主要化学成分是SiO2和MgO的石棉尾矿与作为化学助剂的硫酸氢铵混合焙烧后可提取MgO并分离出活性SiO2残渣。本文研究了这一焙烧过程中主要金属氧化物的浸取率(以MgO表征)、焙烧产物水浸残渣剩余量及其与物相组成之间的相互关系,获得了优化的混合焙烧工艺参数,并结合焙烧水浸产物的物相变化,分析了焙烧过程中矿物和生成物的变化。结果表明,在NH4HSO4/MgO(摩尔比)为4、焙烧温度为500℃、焙烧时间为2 h、尾矿粒度为120目的条件下,石棉尾矿中的矿物分解最为彻底,MgO提取率最高;焙烧过程中,水镁石、方解石和富铬斜绿泥石反应活性高,蛇纹石次之,滑石最差;石棉尾矿中的金属氧化物与硫酸氢铵反应形成可溶硫酸盐,而硅氧四面体骨架转变成无定形活性SiO2残骸。研究结果对石棉尾矿的资源化利用和环境保护具有重要意义。     

活性铁对海洋沉积物中有机碳的保存作用

沉积物碳汇是海洋碳汇的重要组成部分,揭示沉积物的储碳机制对研究气候变化与全球碳循环的相互作用具有重要意义。矿物对有机碳的保护作用是有机碳最重要的稳定机制,其中活性铁（FeR）在沉积物有机碳的累积作用中发挥着捕获有机碳并形成“铁锈碳汇”的重要作用。本文系统梳理了近年来关于海洋沉积物中FeR的固碳的研究成果,总结了海洋沉积物中FeR的提取方式、类型、固碳量、固碳机制、结合有机质来源及分子类型,阐述了FeR固碳的重要意义,旨在加深对矿物与有机碳相互作用的理解。海洋沉积物中FeR常通过柠檬酸盐 碳酸氢盐 连二亚硫酸盐(CBD)还原提取,主要以针铁矿、水铁矿及赤铁矿等氧化物形式存在。FeR可以结合沉积物中约80%的有机碳,结合机制包括以配体交换为主的吸附机制和共沉淀/螯合机制。FeR与有机碳的结合机制可依据铁结合有机碳（FeR OC）与FeR的摩尔比值（FeR OC∶FeR）简单判定,当FeR OC∶FeR低于1.00时以吸附方式结合,大于1.00时以共沉淀方式结合,且共沉淀相比吸附机制具有更高的有机碳结合量及稳定性。大部分海洋沉积物中FeR优先与海源类有机质结合,但在氧化还原频繁的河口及三角洲地区倾向与陆源类有机质结合。分子模拟实验、木质素氧化降解及近边X射线吸收精细结构光谱表明FeR与芳香碳及羧基碳等有机质具有更高的亲和性。FeR对有机质的稳定保存及减缓气候变化引起的负反馈具有重要意义,建议未来更多关注沉积物中有机质与铁矿物结合的具体过程及不同沉积环境FeR固碳的差异机制,更加关注不同结合机制的定量化及重要性对比研究。     

镁铝对烧结矿中铁酸钙的矿物学特性影响

铁酸钙是高碱度烧结矿中的主要黏结相矿物,它的含量、结晶形态、化学成分及晶体结构等矿物学特性对烧结矿质量起着关键性作用,而烧结原料中各组分的含量直接影响着铁酸钙的生成。以Fe₃O₄、SiO₂、CaO、MgO、Al₂O₃的化学纯试剂为原料,在实验室进行微型烧结实验,运用XRD、偏光显微镜、电子探针等手段,定量分析研究了原料组分中MgO、Al₂O₃对烧结矿中铁酸钙的生成及其矿物学特性的影响。原料中MgO含量的增加对铁酸钙的生成有一定抑制作用,尤其在MgO含量为2.0%~3.0%时,烧结矿中铁酸钙含量明显减少,其晶体形态也从以板柱状和针状为主逐渐过渡为它形不规则状;原料中Al₂O₃的增加,对烧结矿中铁酸钙的形成具有促进作用,即随着Al₂O₃的增加铁酸钙含量呈明显增加趋势,且铁酸钙的形态也由以柱状和针状为主向板柱状变化。电子探针成分分析及矿物化学式计算结果表明,铁酸钙是由Fe₂O₃、CaO、SiO₂、Al₂O₃及MgO组成的复杂结晶体,其化学通式为Ca_2.60Mg_0.44Si_1.07Al_0.96Fe_8.92O₂₀。原料中MgO、Al₂O₃含量的变化,对铁酸钙的化学成分中Fe₂O₃/CaO摩尔分数比影响不大,均接近3∶2。上述研究结果对于深刻理解烧结工艺条件下铁酸钙晶相的晶体化学特征及其对烧结矿质量的影响具有重要指导意义。