江西东乡铜矿流体包裹体研究

本文主要对江西东乡铜矿成矿流体进行研究,探讨其成矿机制,分析成矿流体性质以及成矿流体来源。通过石英中流体包裹体的岩相学研究和显微测温可以发现,第一阶段石英中流体包裹体的温度介于144~195℃,流体盐度0.35%~4.95% NaCleqv,第二阶段的流体温度有所升高,均一温度193~298℃,盐度1.40%~6.59% NaCleqv。第三阶段属于成矿期流体,捕获了富气相、富液相和含子晶三相包裹体,其端员均一温度主要在300~340℃和280~320℃之间,盐度介于0.35%~5.86% NaCleqv和29.4%~41.9% NaCleqv之间。激光拉曼探针分析表明,拉曼探针分析反映了前两个阶段流体挥发份主要为水蒸气。第三阶段石英中流体包裹体的气相成分含有H₂O、CO₂和CH₄。流体包裹体研究表明,东乡铜矿第三阶段的流体包裹体发生了明显的沸腾作用,因此,减压沸腾可能是导致流体中金属元素卸载的主要因素。同时,第三阶段流体的H-O同位素特征显示东乡铜矿具有岩浆水特征。     

The vibrational spectrum of calcite (CaCO<Subscript>3</Subscript>): an ab initio quantum-mechanical calculation

The vibrational spectrum of calcite (CaCO₃) is evaluated at an ab initio periodic quantum-mechanical level by using the CRYSTAL package. A localized basis set of Gaussian-type functions and the B3LYP hybrid Hamiltonian are adopted. The dynamical matrix is obtained by differentiating numerically the analytical first derivatives of the energy. The accuracy with respect to all computational parameters is documented. The calculated frequencies are compared with available IR and RAMAN data (16 and 5 peaks, respectively), the mean absolute error being less than 12 cm^–1 (frequencies range from 100 to 1600 cm^–1). Overall, the agreement with experiment is very satisfactory, and shows that simulation can produce at a relatively low cost the full spectra of crystalline compounds of mineralogical interest.     

原位低温拉曼光谱技术在人工合成CaCl2-H2O和MgCl2-H2O体系流体包裹体分析中的应用Ⅱ:低温下流体包裹体相变行为的研究

本文利用低温原位拉曼技术,对CaCl2-H2O体系和MgCl2-H20体系人工合成流体包裹体进行了研究.结果表明:对于盐浓度不同的溶液而言,可采用不同的冷冻方式有效采集低温拉曼光谱;通过系统采集不同温度下的拉曼光谱,可以直接准确地测定包裹体中流体的成分和低温相变过程.人工合成包裹体原位低温拉曼光谱的研究,为将该技术应用于天然包裹体分研究奠定了理论基础,可以预见,该技术必将在流体包裹体研究领域发挥其它方法不可替代的重要作用.     

天然海水中微生物膜对碳钢腐蚀行为的影响

通过对比碳钢在天然海水和灭菌海水中的腐蚀行为,研究海洋微生物对碳钢材料的腐蚀行为的影响.结果表明,海洋微生物可在碳钢表面形成微生物膜,其对碳钢腐蚀速率的影响及作用机理与微生物的种类密切相关.在腐蚀初期,海洋微生物膜对碳钢的腐蚀起到了抑制作用,主要由多种好氧微生物协同作用的结果;在腐蚀后期,随着海洋微生物膜增厚导致厌氧腐蚀的出现从而加速腐蚀,主要是硫酸盐还原菌等厌氧微生物的作用.     

Application of Laser‐Induced Breakdown Spectroscopy and Hyperspectral Images for Direct Evaluation of Chemical Elemental Profiles of Coprolites

This study demonstrates the application of laser‐induced breakdown spectroscopy (LIBS) and hyperspectral imaging to the investigation of coprolite and fossil samples. Solid samples from the Permian (seven coprolites and one fossil), Cretaceous (one coprolite) and Oligo‐Miocene (two coprolites) periods were directly analysed, and emission spectra from 186 to 1042 nm were obtained in several areas covering coprolite/fossil and rock material. Initial exploratory analyses were performed using principal component analysis with the data set normalised by the norm (Euclidean norm = 1). After identification and selection of emission lines of eleven elements (Al, Ca, Cr, Fe, K, Mg, Mn, Na, Ni, P and Si), the signals were normalised again by the relative intensity of the selected element. Phosphorus was identified mainly in the coprolites, while K and Na were primarily found in the rock material. In several cases, there was a positive correlation between Ca and P. A sample from the Oligo‐Miocene series was also analysed using inductively coupled plasma‐optical emission spectrometry (ICP‐OES) (rock and coprolites were analysed separately). Based on the quantitative results from ICP‐OES, it was confirmed that the tendency was the same as that observed with the results obtained from LIBS directly in the solid sample.     

Chemical and spectroscopic characterization of humic substances from sediment and riparian soil of a highly polluted urban river (Suquía River,Córdoba,Argentina)

The Suquia River,the largest urban river in Cordoba(Argentina),has been severely polluted for decades.Actions must be taken to restore its environmental quality by managing riparian zones for increased water-self purification.The current study aimed to characterize organic matter(OM) dynamics and humic substances(HS) spectrochemical properties along the lower-middle basin of the Suquia River.Riparian soil(0-20 cm) and sediment(0-10 cm) samples were collected from a reference location(S1)and four polluted sites(S2-S5) during a low-flow period.The contents of soil and sedimentary OM and HS fractions were analyzed by wet oxidation,as well as HS Fourier transform infrared(FT-IR) and ultraviolet-visible(UV-Vis) spectrochemical properties.The OM and HS fractions from riparian soil were high upstream of Cordoba City(S1 and S2,50.2-50.4 g/kg OM) and within a 50 km downstream location(S5,30.9 g/kg OM) owing to a surplus of fresh plant biomass-carbon(C) inputs.Highly heterogeneous sediment samples did not show any significant differences among sites(P 0.05).The lowest values of the ratio of absorbances at 465 and 665 nm(E4/E6)(1.78) and the Δ log K(0.15) coefficient(a measure of HS maturity degree) were obtained downstream of Cordoba City,for both riparian soil and sediment,indicating that HS were enriched by more condensed aromatic structures within highly degraded portions of the river.All samples exhibited similar IR spectra,implying overlapping recalcitrant-C structures at the functional group level,but with different absorbance intensity.Data from the current study constitute a baseline for understanding the chemical nature of HS from sediment and riparian soil along the Suquia River and can be used as a reference for future studies tracking OM compositional changes over time.     

江苏省西部湖泊溶解性有机物光谱学特征和来源解析

利用光谱学手段研究江苏省西部湖泊表层水体中溶解性有机物(DOM)组成与结构,并对其来源进行分析.单位浓度可溶性有机碳在254和280 nm波长下的吸光度值(SUVA)测定结果表明,各湖泊芳香性程度及分子量大小依次为邵伯湖>天岗湖>白马湖>石臼湖>洪泽湖>固城湖>骆马湖>高邮湖>宝应湖.特定波长下吸光度的比值(E2/E3、E3/E4)显示邵伯湖和白马湖中的DOM结构复杂、分子量大、苯环多,以腐殖酸为主要成分;其它湖泊的DOM腐殖化程度较低,以富里酸为主.指数函数曲线斜率(S275～295nm)拟合结果也同样表明邵伯湖DOM分子量最大,而宝应湖最低.各湖泊荧光指数和生物指数分别处于1.13～1.30和0.47～0.67范围内,体现出DOM强烈的陆源性.四个主要荧光峰的相对荧光强度之间均存在良好的相关性,表明这些湖泊的类腐殖酸及类蛋白物质可能有着相同的来源.结合这些湖泊的特征及流域经济发展水平,可以初步推断经入湖河流携带的由农业及其下游产业产生的有机质是江苏西部湖泊中DOM的主要来源.     

Space Operation and Performance of Doped Germanium Photo-Conducting Detectors in the Far Infrared: Experience from the ISO LWS

The performance of the ten doped germaniumphotoconducting detectors on the Infrared SpaceObservatory Long Wavelength Spectrometer is discussed. This instrument was designed to make spectroscopicmeasurements of astronomical sources in the wavelengthrange from 43 to 198 m. It employed^* a combination of stressed and unstressed Ge:Ga detectorsand one Ge:Be detector coupled to Infrared Labs JF-4integrating amplifiers. The performance of thedetectors was affected by the ionising radiation inthe space environment. The Noise Equivalent Power ofthe detectors increased by a factor of 4 compared tothat measured during ground testing. We show thatthis was the result of reducing the operating bias,and therefore the responsivity, of the detectors andusing shorter integration ramps to alleviate theeffects of the ionising radiation impacts. ^ast ISO exhausted its helium supply on 8 April 1998.     

Irradiated benzene ice provides clues to meteoritic organic chemistry

Aromatic hydrocarbons account for a significant portion of the organic matter in carbonaceous chondrite meteorites, as a component of both the low molecular weight, solvent-extractable compounds and the insoluble organic macromolecular material. Previous work has suggested that the aromatic compounds in carbonaceous chondrites may have originated in the radiation-processed icy mantles of interstellar dust grains. Here we report new studies of the organic residue made from benzene irradiated at 19 K by 0.8 MeV protons. Polyphenyls with up to four rings were unambiguously identified in the residue by gas chromatography–mass spectrometry. Atmospheric pressure photoionization Fourier transform mass spectrometry was used to determine molecular composition, and accurate mass measurements suggested the presence of polyphenyls, partially hydrogenated polyphenyls, and other complex aromatic compounds. The profile of low molecular weight compounds in the residue compared well with extracts from the Murchison and Orgueil meteorites. These results are consistent with the possibility that solid phase radiation chemistry of benzene produced some of the complex aromatics found in meteorites.     

Beta-carotene—A possible biomarker in the Martian evaporitic environment: Raman micro-spectroscopic study

Due to the discovery of the evaporitic environment on the Martian surface, there is a reasonable possibility that evaporites served (or still serve) as habitats for microbial life if ever present on Mars. At the very least, if no signatures of extant life exist within these rocks, it may sustain molecular remnants as evidence for living organisms in the past. β-Carotene, among other carotenoids, could be such a suitable biomarker. In this study, Raman micro-spectroscopy was tested as a nondestructive method of determining the presence of β-carotene in experimentally prepared evaporitic matrices. Samples prepared by mixing β-carotene with powdered gypsum (CaSO₄·2H₂O), halite (NaCl) and epsomite (MgSO₄·7H₂O) were analyzed using a 785 nm excitation source. Various concentrations of β-carotene in the matrices were investigated to determine the lowest β-carotene content detectable by Raman micro-spectroscopy. Mixtures were also measured with a laser beam permeating the crystals of gypsum and epsomite in order to evaluate the possibility of identifying β-carotene inside the mineral matrix.We were able to obtain a clear β-carotene signal at the 10 mg kg⁻¹ concentration level—the number of registered β-carotene Raman bands differed depending on the particular mineral matrix. Spectral signatures of β-carotene were detected even when analyzing samples containing 1 mg kg⁻¹ of this molecule. The 10-100 mg kg⁻¹ of β-carotene in mineral matrices (halite, epsomite) was detected when analyzed through the monocrystal of gypsum and epsomite, respectively. These results will aid both in-situ analyses on Mars and sample analyses on Earth.