Acidities of confined water in interlayer space of clay minerals

The acid chemistry of confined waters in smectite interlayers have been investigated with first principles molecular dynamics (FPMD) simulations. Aiming at a systematic picture, we establish the model systems to take account of the three possible controlling factors: layer charge densities (0 e, 0.5 e and 1.0 e per cell), layer charge locations (tetrahedral and octahedral) and interlayer counterions (Na⁺ and Mg²⁺). For all models, the interlayer structures are characterized in detail. Na⁺ and Mg²⁺ show significantly different hydration characteristics: Mg²⁺ forms a rigid octahedral hydration shell and resides around the midplane, whereas Na⁺ binds to a basal oxygen atom and forms a very flexible hydration shell, which consists of five waters on average and shows very fast water exchanges. The method of constraint is employed to enforce the water dissociation reactions and the thermodynamic integration approach is used to derive the free-energy values and the acidity constants. Based on the simulations, the following points have been gained. (1) The layer charge is found to be the direct origin of water acidity enhancement in smectites because the neutral pore almost does not have influences on water dissociations but all charged pores do. (2) With a moderate charge density of 0.5 e per cell, the interlayer water shows a pKa value around 11.5. While increasing layer charge density to 1.0 e, no obvious difference is found for the free water molecules. Since 1.0 e is at the upper limit of smectites’ layer charge, it is proposed that the calculated acidity of free water in octahedrally substituted Mg²⁺-smectite, 11.3, can be taken as the lower limit of acidities of free waters. (3) In octahedrally and tetrahedrally substituted models, the bound waters of Mg²⁺ show very low pKa values: 10.1 vs 10.4. This evidences that smectites can also promote the dissociations of the coordinated waters of metal cations. The comparison between the two Mg²⁺-smectites reveals that different layer charge locations do not lead to obvious differences for bound and free water acidities.     

最近11万年来东亚季风轨道与千年尺度气候变率在南京下蜀黄土中的记录

对南京李家岗下蜀黄土剖面上部的近20 m地层进行野外观察和室内研究,划分出5层黄土和5层古土壤,按5 cm间距采集了Rb/Sr、色度、磁化率和粒度样品,并在剖面和可追索的相邻剖面上采集了13个光释光测年样品。分析结果显示,Rb/Sr、色度和磁化率等夏季风代用指标曲线所表现的4次岁差变率振荡具有高度的一致性,依据气候地层...     

末次冰消期以来东海内陆架沉积速率及其气候环境响应

对位于东海内陆架浙-闽沿岸泥质带的EC2005孔岩性、粒度以及AMS14C年代进行了分析,着重探讨了研究区自末次冰消期以来的沉积速率变化,划分出4个大的沉积阶段和4次快速沉积事件.千年时间尺度上大的沉积阶段主要受控于物源供应、海平面变化以及可容空间的大小.百年时间尺度上揭示的4次快速沉积事件主要受控于东亚冬季风的增强或...     

浙江早古生代孢粉型化石的研究

在浙江西北部早寒武世荷塘组、晚寒武世华严寺组、早奥陶世宁国组、晚奥陶世长坞组和文昌组、早志留世霞乡组、河沥溪组和康山组、中志留世唐家坞组中发现孢粉型化石,孢粉型化石包括疑源类,隐花(陆生)植物孢子类型等,计66属、112种、31未定种。同时讨论了这9个层位孢粉型化石的组合特征、地质时代及其沉积环境。     

Influence of Uneven Trace Spacing on Rayleigh Wave Dispersion

Rayleigh wave dispersion signals are significant to underground investigation.Tradition-ally,uniformed trace spacing is employed in surface wave surveys.In some cases,however,uneven trace spacing is often encountered because of the limitations of the site condition.In order to study the influence of uneven trace spacing on the dispersion data construction of Rayleigh waves,data acquisi-tion is performed based on a 2.5D field layout with a linear array of geophones fixed and a mobile source.The observation d...     

Comparison of Results of Recent Seismic Profiles with Tectonic Models of the North China Craton

The geometry and timing of amalgamation of the North China craton(NCC) have been controversial,with three main models with significantly different interpretations of regional structure,geochronology,and geological relationships.The model of Zhao G C et al.suggests that the eastern and western blocks of the NCC formed separately in the Archean,and an active margin was developed on the eastern block between 2.5 and 1.85 Ga,when the two blocks collided above an east dipping subduc-tion zone.The model of Kusky ...     

Tectonics and Mechanisms of Uplift in the Central Uplift Belt of the Huimin Depression

The Huimin (惠民) depression is a third-level tectonic element of the Bohai (渤海) Bay basin in eastern China. The central uplift belt is the most important oil and gas accumulation zone in the depression, but the lack of adequate geological studies in the area has greatly hindered exploration and development. In this article, using seismic data, fracture mechanics, and a combination of data on fault growth indices and fault throws, we present an analysis of tectonic activity in the central uplift belt and adja...     

雪峰山基底隆升带及其邻区印支期陆内构造特征与成因

狭义的华南陆块东部包括扬子地块和华夏地块,而雪峰山陆内构造系统是扬子地块的重要组成部分。通过对雪峰山地区印支期地层角度不整合时空分布规律的分析表明,高角度不整合—微角度不整合—平行不整合—整合的空间分布区域依次由东往西递变渐新。根据褶皱变形分析得出,雪峰山地区在印支期发育了北东东向和北北东向2个轴迹方向的褶皱,后期叠加了南北向弧形逆冲推覆构造。区域构造背景和动力学分析表明,扬子地块内部印支期总体北东向的变形形迹与东西轴向的秦岭—大别造山带和扬子地块南部东西轴向的构造线相垂直;其原因是:扬子地块与华夏地块最终陆内收缩变形的时间比扬子与华北沿秦岭—大别造山带的陆间碰撞拼合的时间早,印支早期的先存北北东向构造线在印支晚期由于扬子地块顺时针旋转变位为北东东向,从而决定了印支早期现今北东东向的构造线,随后的第二幕北北东向构造线的形成是在与早期第一幕变形的应力场相同的同一构造应力场作用下形成的。但是,秦岭—大别造山带近东西向的构造线取决于主动大陆边缘,即总体近东西向的华北陆块南缘边界,其原始方位为总体近东西向。这些复杂边界条件和旋转决定了先形成彼此近于垂直的构造线,然后拼接形成现今构造线垂直的格局。     

储集层测井信号的非线性混沌特性

对测井信号的特征提取采用非线性分析方法。利用非平稳信号分析方法——游程检验法,分析松辽盆地某井储集层测井数据的非平稳特性;在此基础上,采用非线性混沌方法对测井数据进行最大Lyapunov指数提取。结果表明:储集层测井序列具有非平稳特性;最大的Lyapunov指数大于零,表明了储集层测井序列具有混沌特征。为此,储集层测井信息的提取可采用非线性混沌理论方法,以便更有效地描述测井信息特征。     

吉林省双辽市氟中毒病区与非病区水文地球化学特征

双辽市氟中毒病区与非病区地下水水化学类型均处于重碳酸型水带内。病区水文地球化学作用处于元素迁移—富集的过渡阶段或元素富集阶段的初期,其水化学类型呈现由HCO3→HCO3.Cl→Cl.HCO3型水的分带性展布,地下水溶解固体浓度为0.5～2.0 mg/L;非病区则处于元素迁移阶段,其水化学类型则为单一的HCO3.Ca型水,地下水溶解固体浓度一般均低于0.5 mg/L。地方性氟中毒的分布与区域水文地球化学特征之间存在着一定的联系,此种关系虽然不可作为病因看待,但仍可当作一种环境标志加以考虑。