Dissolution mechanisms of water in depolymerized silicate melts: Constraints from H and Si NMR spectroscopy and ab initio calculations

Dissolution of water in magmas significantly affects phase relations and physical properties. To shed new light on the this issue, we have applied ¹H and ²⁹Si nuclear magnetic resonance (NMR) spectroscopic techniques to hydrous silicate glasses (quenched melts) in the CaO-MgO-SiO₂ (CMS), Na₂O-SiO₂, Na₂O-CaO-SiO₂ and Li₂O-SiO₂ systems. We have also carried out ab initio molecular orbital calculations on representative clusters to gain insight into the experimental results.The most prominent result is the identification of a major peak at ∼1.1 to 1.7 ppm in the ¹H MAS NMR spectra for all the hydrous CMS glasses. On the basis of experimental NMR data for crystalline phases and ab initio calculation results, this peak can be unambiguously attributed to (Ca,Mg)OH groups. Such OH groups, like free oxygens, are only linked to metal cations, but not part of the silicate network, and are thus referred to as free hydroxyls in the paper. This represents the first direct evidence for a substantial proportion (∼13∼29%) of the dissolved water as free hydroxyl groups in quenched hydrous silicate melts. We have found that free hydroxyls are favored by (1) more depolymerized melts and (2) network-modifying cations of higher field strength (Z/R²: Z: charge, R: cation-oxygen bond length) in the order Mg > Ca > Na. Their formation is expected to cause an increase in the melt polymerization, contrary to the effect of SiOH formation. The ²⁹Si MAS NMR results are consistent with such an interpretation. This water dissolution mechanism could be particularly important for ultramafic and mafic magmas.The ¹H MAS NMR spectra for glasses of all the studied compositions contain peaks in the 4 to 17 ppm region, attributable to SiOH of a range of strength of hydrogen bonding and molecular H₂O. The relative population of SiOH with strong hydrogen bonding grows with decreasing field strength of the network-modifying cations. Ab initio calculations confirmed that this trend largely reflects hydrogen bonding with nonbridging oxygens.     

金坛市开发区的数字影像测图

为完善数字化测图功能，通过全数字摄影测量系统(VirtuoZo)的数字影像测图模块(IGS)在金坛市开发区1：500测区中的应用，总结提高测图精度和速度的体会。     

西安市冬季冷暖的历史演变对采暖的影响

本文针对CAPPS2.0系统在业务化自动运行过程中的一些问题,提供了一套具体可行的解决方案,实现了CAPPS系统的全自动运行,具有很高的实用价值。     

侯马市酸雨概况及其气象条件分析

通过对侯马近14a酸雨观测资料分析,发现侯马出现酸雨的概率较大,强度较强,时间变化特征明显,与气象条件关系密切。     

Visualization issues in the development of electronic atlas in China

In this paper, we discuss the development of electronic atlas in China, with focus on the issues of visualization. We particularly categorise this development into four periods, and then analyse the characters in each period and discuss the visualization issues. The four periods are highlighted: 1) Infant period (<1990) characterized as computer assisted mapping with products of screen maps; 2) Starting period (1991-1995) characterized as object-oriented mapping with products of interactive maps/atlases; 3) Advancing period (1996-2000) characterized as integrated mapping with products of multimedia cartographic maps; 4) New era (> 2001) characterized as web mapping and adaptive map design with products of Internet maps and atlas as well as adaptive maps. It is obvious that the development follows the logical way from static to dynamic, and even real time visualization, from single user to multiple users, from presentation to exploration for effective communication and knowledge construction. Current research and development projects are focused on customisation of atlas information systems for real-time tasks, Internet operability, small displays and mobile environments. The major challenges involved in each of such customisation processes are identified and commented in relation to the further development of visualization.     

Correlation between magnetic susceptibility and heavy metals in urban topsoil: a case study from the city of Xuzhou, China

Anthropogenic influence, mainly due to urban and industrial activities and traffic exhaust, may affect urban topsoil via atmospheric contamination and solid waste. Magnetic susceptibility measurements were conducted on 21 urban topsoil samples from the city of Xuzhou, China. High intensities of magnetic susceptibility were detected in the majority of the samples. SEM analysis shows that magnetic minerals are in the form of spherules and mainly due to anthropogenic inputs. The heavy metals Pb, Cu, Zn, Se, Sc, Mo, Fe, and Bi show strong correlations with magnetic susceptibility, and Ag, Ba, Cd, Ni, Cr, Sb, and Sn, on the other hand, show a weak correlation with magnetic susceptibility. Whereas, of these metals studied, only Hg has no significant correlation with the susceptibility. The Tomlinson pollution load index (PLI) also shows significant correlation with the susceptibility (χ). The present study shows that magnetic susceptibility is a fast, inexpensive, and non-destructive method for the detection and mapping of contaminated soils.     

Element mobility during pyrite weathering: implications for acid and heavy metal pollution at mining-impacted sites

Based on back scattered electron images and electron micro-probe analysis results, four alteration layers, including a transition layer, a reticulated ferric oxide layer, a nubby ferric oxide layer and a cellular ferric oxide layer, were identified in the naturally weathering products of pyrite. These layers represent a progressive alteration sequence of pyrite under weathering conditions. The cellular ferric oxide layer correlates with the strongest weathering phase and results from the dissolution of nubby ferric oxide by acidic porewater. Leaching coefficient was introduced to better express the response of element mobility to the degree of pyrite weathering. Its variation shows that the mobility of S, Co and Bi is stronger than As, Cu and Zn. Sulfur in pyrite is oxidized to sulfuric acid and sulfate that are basically released into to porewater, and heavy metals Co and Bi are evidently released by acid dissolution. As, Cu and Zn are enriched in ferric oxide by adsorption and by co-precipitation, but they would re-release to the environment via desorption or dissolution when porewater pH becomes low enough. Consequently, Co, Bi, As, Cu and Zn may pose a substantial impact on water quality. Considering that metal mobility and its concentration in mine waste are two important factors influencing heavy metal pollution at mining-impacted sites, Bi and Co are more important pollutants in this case.     

松花江上游地区汞污染的化学生态效应

采样分析了吉林省东部松花江上游金矿开采区及其附近水、土壤、动植物及河流沉积物样品中汞的含量，发现河流沉积物中汞的污染相当严重；受其影响当地的植物和两栖类动物——中国林蛙体内总汞和甲基汞含量也明显高于对照组。实验表明，林蛙内脏对汞的富集能力大于肌肉；秋季对汞的富集大于春季；河流沉积物中甲基汞的含量与林蛙体内甲基汞的含量有较好的正相关。汞污染的来源与区域内个体金矿的滥采滥排有直接关系，表明人类活动所产生的有毒重金属在地表过程中出现了化学生态效应。