Computer simulation studies of Crystallization under confinement conditions

Crystallization under confinement conditions is a very important process in geochemistry and geophysics. Computer simulations of fluids in nanometer scale pore spaces can provide a unique microscopic insight into the structure, dynamics and forces arising from the crystallization process. We discuss in this paper molecular dynamics computer simulations of crystallization in pores of nanometer dimensions. The crystallization pressure due to the freezing of a model of Argon in a nanopore is computed using molecular dynamics simulations. We also investigate the influence of pore geometry in determining the dynamics of confined fluids, as well as mass separation in binary mixtures. It turns out that the pore geometry reveals itself as an important variable, leading to 1) new mechanisms for fast diffusion in confined spaces, and 2) accumulation of solute in specific regions inside the pore.     

The structure and dynamics of 2-dimensional fluids in swelling clays

The interlayer pores of swelling 2:1 clays provide an ideal 2-dimensional environment in which to study confined fluids. In this paper we discuss our understanding of the structure and dynamics of interlayer fluid species in expanded clays, based primarily on the outcome of recent molecular modelling and neutron scattering studies. Counterion solvation is compared with that measured in bulk solutions, and at a local level the cation-oxygen coordination is found to be remarkably similar in these two environments. However, for the monovalent ions the contribution to the first coordination shell from the clay surfaces increases with counterion radius. This gives rise to inner-sphere (surface) complexes in the case of potassium and caesium. In this context, the location of the negative clay surface charge (i.e. arising from octahedral or tetrahedral substitution) is also found to be of major importance. Divalent cations, such as calcium, eagerly solvate to form outer-sphere complexes. These complexes are able to pin adjacent clay layers together, and thereby prevent colloidal swelling. Confined water molecules form hydrogen bonds to each other and to the clays' surfaces. In this way their local environment relaxes to close to the bulk water structure within two molecular layers of the clay surface. Finally, we discuss the way in which the simple organic molecules methane, methanol and ethylene glycol behave in the interlayer region of hydrated clays. Quasi-elastic neutron scattering of isotopically labelled interlayer CH₃OD and (CH₂OD)₂ in deuterated clay allows us to measure the diffusion of the CH₃- and CH₂-groups in both clay and liquid environments. We find that in both the one-layer methanol solvates and the two-layer glycol solvates the diffusion of the most mobile organic molecules is close to that in the bulk solution.     

Testing links between river patterns and in-channel characteristics using MRPP and ANOVA

This study tests the assumption that the characteristics of channels within multiple channel rivers are different from those of single channel rivers. Some river restoration approaches propose radical transformation of river patterns, from multiple to single channels, based on the link between river patterns and their in-channel characteristics. Determining the links between river patterns and their in-channel characteristics is complicated by differences in geology, history, climate and discharge among rivers. Furthermore, multiple channel rivers are composed of a mosaic of channel types with a range of in-channel characteristics. This study minimizes these problems by analysing a single river containing neighbouring single and multiple channel patterns with little change in discharge downstream, and by analysing all channel types. The study addressed two objectives: to determine the hydraulic geometry, energy, and sediment mobility characteristics of neighbouring single and multiple channel river patterns, and to test for statistical differences in these characteristics between patterns. The Renous River shows a wandering pattern for 11.5 km, with multiple channels around semipermanent islands and abandoned channels in the flood plain. The river displays a single channel river pattern where channels are confined by their valley walls, upstream and downstream of wandering. The analysis was conducted at three scales. First, the confined single channel and wandering multiple channel patterns were compared (pattern scale). Second, the confined channel pattern was compared to single and multiple channel sections within the wandering pattern (section scale). Third, all channel types were compared (channel type scale). Multi response permutation procedure (MRPP) and analysis of variance (ANOVA) were used to analyze differences between channels. Difference tests found no simple discrimination between the single and multiple channel river patterns of the Renous River. Tests between the single confined and multiple wandering channel patterns found few differences in the in-channel variables. The tests did find differences between multiple channel sections within the wandering pattern and confined single channels; however, a greater number of differences were found between multiple channel and single channel sections within the wandering pattern, highlighting the variability within the wandering pattern. Two groups emerged when all channel types were tested for differences: perennial main-channels containing the thalweg, and ephemeral side-channels. Therefore, side-channels define the in-channel characteristics of wandering rivers because few differences were found among main-channels in either pattern. This analysis suggests that all channel types, not just main-channels, should be investigated to obtain a complete picture of a river pattern prior to any restoration efforts. Engineers must exercise caution when applying the link between river patterns and in-channel characteristics to river restoration efforts.     

Land subsidence and caprock dolines caused by subsurface gypsum dissolution and the effect of subsidence on the fluvial system in the Upper Tigris Basin (between Bismil–Batman, Turkey)

Karstification-based land subsidence was found in the Upper Tigris Basin with dimensions not seen anywhere else in Turkey. The area of land subsidence, where there are secondary and tertiary subsidence developments, reaches 140 km². Subsidence depth ranges between 40 and 70 m. The subsidence was formed as a result of subsurface gypsum dissolution in Lower Miocene formation. Although there are limestones together with gypsum and Eocene limestone below them in the area, a subsidence with such a large area is indicative of karstification in the gypsum. The stratigraphical cross-sections taken from the wells and the water analyses also verify this fact. The Lower Miocene gypsum, which shows confined aquifer features, was completely dissolved by the aggressive waters injected from the top and discharged through by Zellek Fault. This resulted in the development of subsidence and formation of caprock dolines on loosely textured Upper Miocene–Pliocene cover formations. The Tigris River runs through the subsidence area between Batman and Bismil. There are four terrace levels as T1 (40 m), T2 (30 m), T3 (10 m) and T4 (4–5 m) in the Tigris River valley. It was also found that there were some movements of the levels of the terraces in the valley by subsidence. The subsidence developed gradually throughout the Quaternary; however no terrace was formed purely because of subsidence.     

江苏沿淮地区淮河水与地下水补排关系研究

从淮河江苏段与地下水含水层关系出发,认为淮河河床切割了地下水承压含水层。地下水的水动力特征表明地下水接受了淮河水的补给。从水质研究的角度印证了地表水与地下水的补排关系。将淮河水与潜水、微承压、承压水之间进行聚类分析,印证了微承压、承压水与淮河水同源。     

上海地区第四承压含水层沉积环境及结构特征

上海地区第四承压含水层是地下水开发利用的主要层次,对其沉积环境、成因、结构特征进行深入研究有利于更好地开展地下水资源开发利用及地质环境保护工作.本文在对上海地区大量钻孔资料深入分析的基础上,对第四承压含水层形成时期即早更新世中、晚期沉积环境及含水层的成因进行了深入剖析,对含水层结构特征进行了详细刻画,为三维地质结构的建立奠定了基础.     

油井产液量与井底压力关系的研究

利用流体动力学理论,研究了油井产量与井口压力、井底压力之间的产量关系,给出了井口压力和油井产液量之间的等效互换关系,进一步研究了油井动态观测资料的科学处理方法,以胜利油田东水－３井为例,对其观测资料进行了处理,并讨论了泄流管管径对流量及等效水位的影响。     

Aquifer response to stream-stage and recharge variations. II. Convolution method and applications

In this second of two papers, analytical step-response functions, developed in the companion paper for several cases of transient hydraulic interaction between a fully penetrating stream and a confined, leaky, or water-table aquifer, are used in the convolution integral to calculate aquifer heads, streambank seepage rates, and bank storage that occur in response to stream-stage fluctuations and basinwide recharge or evapotranspiration. Two computer programs developed on the basis of these step-response functions and the convolution integral are applied to the analysis of hydraulic interaction of two alluvial stream–aquifer systems in the northeastern and central United States. These applications demonstrate the utility of the analytical functions and computer programs for estimating aquifer and streambank hydraulic properties, recharge rates, streambank seepage rates, and bank storage. Analysis of the water-table aquifer adjacent to the Blackstone River in Massachusetts suggests that the very shallow depth of water table and associated thin unsaturated zone at the site cause the aquifer to behave like a confined aquifer (negligible specific yield). This finding is consistent with previous studies that have shown that the effective specific yield of an unconfined aquifer approaches zero when the capillary fringe, where sediment pores are saturated by tension, extends to land surface. Under this condition, the aquifer's response is determined by elastic storage only. Estimates of horizontal and vertical hydraulic conductivity, specific yield, specific storage, and recharge for a water-table aquifer adjacent to the Cedar River in eastern Iowa, determined by the use of analytical methods, are in close agreement with those estimated by use of a more complex, multilayer numerical model of the aquifer. Streambank leakance of the semipervious streambank materials also was estimated for the site. The streambank-leakance parameter may be considered to be a general (or lumped) parameter that accounts not only for the resistance of flow at the river–aquifer boundary, but also for the effects of partial penetration of the river and other near-stream flow phenomena not included in the theoretical development of the step-response functions.     

改进的前馈型神经网络模型在承压水漏斗水位预报中的应用

建立了以改进Powell法优化的前馈型神经网络模型，模型既具有强大的函数逼近功能，又克服了传统神经网络优化方法的缺点。将神经网络模型用于承压水漏斗的动态水位预报，实例表明：模型预报效果较好。     

Aspects of the measurement of the acoustic transfer function in a cavitation tunnel

Model scale experiments represent one of the most effective, and probably the most commonly used, approaches for the study of cavitating propeller noise. Despite this, the acquirement of consistent data of propeller noise from tests in model scale facilities is still a challenging task. Data collected with such an approach are usually affected by several scale effects and facility related issues which make such experiments still very complex. Among others, the effect of the facility itself as acoustical surrounding must be carefully addressed in order to properly estimate propeller source levels in ideal free field conditions. This is currently carried out, when possible, by measuring facility transfer functions and applying such functions as a correction to measured noise spectra. The development of robust procedures for the measurement of these transfer functions is thus very important. In the present work, this problem is addressed by discussing in details techniques, merits and possible problems related to this topic.