Neutron diffraction study of aluminous hydroxide δ-AlOOD

We have determined the position of deuterium atoms in δ-AlOOD by neutron powder diffraction at ambient pressure. As previously reported by theoretical and experimental studies, the deuterium atoms are located in the tunnel formed by the chains of AlO₆ octahedra. The data are best fit with the P2₁ nm structure, producing bond lengths of D–O1 of 1.552(2) Å, O2–D of 1.020(2) Å and O1–O2 of 2.571(2). This study confirms that the hydrogen bond is asymmetric at ambient conditions in agreement with recent single-crystal synchrotron study for δ-AlOOH.     

秦岭北缘断裂带温泉水循环深度与地震活动性的关系研究

研究了秦岭北缘断裂带温泉水的氢氧同位素和氦同位素,同时通过温泉水的热储温度和当地地温梯度计算了温泉水的循环深度;统计分析了1900-1997年间的地震频度.从水对断裂及其围岩的弱化的角度讨论了温泉水深循环对地震活动性的影响.结果表明各段地震活动性的差异与温泉水循环深度的差异有关.认为循环深度较深的陕西段孕育强震的可能性较小,而循环深度较浅的青海段和甘肃段是孕育强震的危险区,其中甘肃段可能是强震的最危险区.     

The seasonal variability of the northern Benguela undercurrent and its relation to the oxygen budget on the shelf

The seasonal variations in the advection and mixing of water masses in the northern Benguela were studied in relation to the oxygen minimum zone over the Namibian shelf. The used data set consists of hydrographic and current measurements from an oceanographic mooring 20 nm off Walvis Bay, monthly CTD transects from the Namibian 23°S monitoring line and recent large-scale hydrographic surveys. The current time series showed an intermittent southward continuation of the Angola Current (AC) through the Angola–Benguela frontal zone (ABFZ) into the northern Benguela, commonly known as poleward undercurrent. In austral summer hypoxic, nutrient rich South Atlantic central water (SACW) from the Angola Gyre is transported into the northern Benguela, whereas during the winter season the oxygen rich Eastern SACW (ESACW) spreads northward. The water mass analysis reveals a mixing between both water masses in the northern Benguela between the ABFZ and the Lüderitz upwelling cell (27°S). The oxygen balance over the Namibian shelf depends to a high extent on the water mass composition of the upper central water layer, controlled by the large scale and local circulation. The deviation of the measured oxygen concentration from its mixing concentration, calculated with the source water mass properties, was used to quantify the oxygen consumption. A new local definition SACW was derived to exclude biogeochemical processes, taking place in the Angola Gyre. The oxygen deficit in the northern Benguela central water amounted to about 60–80 μmol l⁻¹ at the shelf edge and increased up to 150 μmol l⁻¹ on the shelf, due to local oxygen consumption. In the austral summer anoxic bottom waters are observed at the central Namibian shelf, which correlate to an SACW fraction >55%. Periods with high SACW fraction in the water mass composition were congruent with hydrogen sulphide events detected by remote sensing.     

新疆库尔勒断层氢气浓度的影响因素及其地震预测的潜在效能评价

以库尔勒断层H_2观测数据为研究对象,通过计算气压、气温与断层H_2浓度间的相关系数,分析了断层H_2浓度动态变化的影响因素,并利用Molchan图表法对断层H_2浓度映震效能进行检验,进而定量化地提取预测指标。结果显示:(1)气压和温度对库尔勒断层H_2浓度的变化有影响,表现为气压与断层H_2浓度呈正相关,相关系数为0.6735,温度与断层H_2浓度呈负相关,相关系数为-0.4262,气压对断层H_2浓度变化影响较大,温度影响较小;(2)Molchan图表法的库尔勒断层H_2浓度变化与地震间关系的检验结果反映出该测点断层H_2浓度映震效果较好,且地震预测优势对应时段为2个月内,最佳阈值为0.3392×10~(-6),该值可作为库尔勒断层H_2浓度在相对应的时间段内地震活动异常的判别指标,为震情判定提供参考依据。     

Hydrogen bonding interactions in phase A [Mg7Si2O8(OH)6] at ambient and high pressure

Neutron powder diffraction data of phase A (Mg₇Si₂O₈(OH)₆) were collected at ambient pressure and 3.2?GPa (calculated from the compressibility of phase A) from the deuterated compound, and the structure was refined using the Rietveld method. The derived crystal structure implies that hydrogen atoms occupy two distinct sites in phase A, both forming hydrogen bonds of different lengths with the same oxygen atom. This picture is supported by IR spectra, which exhibit two absorption bands at 3400 and 3513?cm^?1 corresponding to OH stretching vibrations, and proton NMR spectra, which display two peaks with equal intensities and isotropic chemical shifts of 3.7 and 5?ppm. The D-D distance [D(1)-D(2) distance] at ambient pressure was found to be 2.09?±?0.02?Å from the neutron diffraction data and 2.09?±?0.05?Å from the NMR spectra. At 3.2?GPa, there is no statistically significant increase in the O-D interatomic distance while the hydrogen bonding interaction D···O appears to increase for one of the hydrogen sites, D(1), which has the stronger hydrogen bonding interaction compared with the other hydrogen, D(2), at ambient pressure. The O-D bond valences, determined indirectly from the D···O distances were 0.86 and 0.91 at ambient pressure, and 0.83 and 0.90?at 3.2?GPa, for D(1) and D(2), respectively.     

First-principles study of (MgH2SiO4)? n (Mg2SiO4) hydrous olivine structures. I. Crystal structure modelling of hydrous olivine Hy-2 a (MgH2SiO4) ? 3(Mg2SiO4)

 Recently, the Hy-2a hydrous olivine (MgH₂ SiO₄)·3(Mg₂SiO₄) occurring as nanometre-sized inclusions in mantle olivines has been found by TEM, and has been suggested to be a new DHMS phase (Khisina et al. 2001). A model of the crystal structure of Hy-2a has been proposed as a 2a-superstructure of olivine with one Me²⁺ -vacant octahedral layer in the (1 0 0) plane per Hy-2a unit cell (Khisina and Wirth 2002). In the present study the crystal structure of Hy-2a hydrous olivine is optimized by ab initio calculations. The aims of this study are: (1) verification of the suggested models of Hy-2a hydrous olivine structure; (2) calculation of the most stable configurations for Hy-2a structure with minimum static lattice energy, by assuming a possible formation of Me²⁺ vacancies in either M1 or M2 octahedral sites; (3) determination of the position of protons and hydrogen bonds in the Hy-2a structure. Several different possible configurations of the Hy-2a structure are optimized. The results support the idea of a stable olivine structure with ordered planar-segregated OH-bearing defects oriented parallel to (1 0 0). The data obtained indicate a preferred stability of the Hy-2a structure with the protons associated with M1 vacancies and bonded with O1 and O2 oxygen sites. The relative energy values of the optimized Hy-2a structure configurations correlate as a rule with the average shifts of atoms from their positions in pure forsterite structure. Received: 7 February 2002 / Accepted: 23 October 2002     

内蒙古道伦达坝铜多金属矿床成矿流体特征及其演化

内蒙古自治区锡林郭勒盟西乌旗道伦达坝中型铜多金属矿床位于大兴安岭南段西坡,矿体主要产于粉砂质板岩与黑云母花岗岩的接触带.本文通过系统的岩相学、矿相学、流体包裹体和氢、氧同位素研究表明,道伦达坝铜多金属矿床属岩浆期后气化热液矿床,成矿过程包括早、中、晚3个阶段,温度区间分别为388～＞500℃、302～463℃、179～359℃.钨-锡矿化主要发生在中阶段、铜矿化主要发生在晚阶段.初始成矿流体为CH_4-CO_2-H_2O-NaCl体系,随着温压降低,CO_2、CH_4大量逸失,而演化为H_2O-NaCl体系.流体盐度变化范围大,但从早到晚逐步降低.流体临界分离导致钨、锡矿化;流体CH_4、CO_2逃逸和大气降水热液混入导致铜矿化.黑云母花岗岩的侵入活动导致了成矿流体的聚集,而粉砂质板岩有利于成矿流体封闭,致使二者接触带成为有利的成矿和找矿部位.     

西秦岭寨上金矿床地球化学特征 及成因机制研究

寨上金矿床共发现金矿脉22条,金矿体19条.通过氢、氧同位素分析得出:该区成矿流体水具有多来源特征.δ34S的组成特点可能反映了硫源为岩浆硫和地层硫的混合.碳的来源主要由海相沉积碳酸盐岩经溶解作用和花岗岩岩浆热液提供.矿石稀土元素并没有完全继承围岩的特征.成矿流体具有以下特征:成矿流体为中低温、低盐度、低密度、多期次活动的流体.金矿成矿是在300Ma之后燕山晚期形成的.成矿热液中,金主要以硫化物配合物的形式迁移.成矿流体与围岩发生充分的物质交换后.运移到裂隙发育部位,并因为流体的混合和围压突然降低,成矿流体产生强烈的沸腾作用,使成矿物质沉淀富集成矿.     

Hydrogen peroxide measurements in the marine atmosphere

Hydrogen peroxide, one of the key compounds in multiphase atmospheric chemistry, was measured on an Atlantic cruise (ANT VII/1) of the German research vessel Polarstern from 15 September to 9 October 1988, in rain and ambient air by a chemiluminescence technique. For gas phase H₂O₂ cryogenic sampling was employed. The presented results show an increase of gas-phase mixing ratios of about 45 pptv per degree latitude between 50° N and 0°, and a maximum of 3.5 ppbv around the equator. Generally higher mixing ratios were observed in the Southern Hemisphere, with a clear diurnal variation. The H₂O₂ mixing ratio is correlated to the UV radiation intensity and to the temperature difference between air and ocean surface water.     

川东北天然气单体烃氢同位素组成特征

采用气-水平衡法及同位素分馏平衡方程技术标定工作标准气,测定样品的氢同位素比值,使误差控制在5‰以内。采取川东北、鄂西和川西三个地区的天然气样品,分别测定它们的单体烃氢同位素比值。分析表明,川东北普光气田海相成因天然气甲烷氢同位素δD平均值为-126‰(SWOM),比新疆塔河油田海相环境生成的天然气甲烷氢同位素δD平均值-164‰重约40‰。对比研究认为,这与其共存地层水的δD值密切相关,也与这些天然气的成熟度有直接关系。