Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks

Reactions of Zn(BF4)(2) and pyridine-2,4-dicarboxylic acid (2,4-pydcH(2)) in the presence of 1,2-bis( 4-pyridyl) ethylene or 1,3-bis(4-pyridyl) propane under hydro(solvo) thermal conditions yielded two polymorphic metal-organic coordination polymers formulated as Zn-2(OH)(2)(2,4-pydc) (1 and 2). Polymorph 1 features a two-dimensional (2-D) layer-like structure that is constructed by 2,4-pydc ligands bridging between the Zn-OH-Zn double-chain units. Each single Zn-OH-Zn chain is composed of mu(2)-OH groups connecting trigonal bipyramidal and tetrahedral Zn centers. Polymorph 2 is a 3-D coordination polymer containing 2-D Zn-OH-Zn sheets that consist of mu(2)- and mu(3)-OH groups and trigonal bipyramidal Zn centers. The sheets are pillared by 2,4-pydc ligands to form an acentric structural architecture. 1 and 2 are rare examples that the two polymorphs exhibit a centrosymmetric 2-D coordination network and an acentric 3-D coordination network, respectively. The different structures lead to differences in photoluminescent properties and thermal stabilities for 1 and 2.

Fabrication and characterization of hybrid Langmuir-Blodgett films of polyquinoline/stearic acid/rare earth-substituted heteropolymolybdate

Three kinds of hybrid Langmuir-Blodgett films are obtained by the organization of poly(1-hydro-2,2,4-trimethyl)quinoline (PQ), stearic acid(SA) and rare earth-substituted heteropolymolybdates (RE(PMo11)(2), RE = Ce-III, Eu-III, La-III) using the Langmuir-Blodgett technique. They are characterized by pi-A isotherms, absorption spectra, fluorescence spectra, IR and atomic force microscope. The absorption spectra indicate that the molecules of PQ and heteropolymolybdates are incorporated into the LB films. The atomic force microscope reveals that heteropolymolybdates aggregate at the surface of the LB film.

降雨条件下碎石土滑坡稳定性研究

Debris Landslide is one of the types of landslides with the widest distribution, largest quantity, and the closest relationship with engineering construction. It is also one of the most important types of landslides that can cause disaster. This kind of landslide often occurs in the loose slopes which are made up of loose congeries formed by earth filling, residual soil, slope wash, dilapidation, landslide or full weathered material of hard rock. Rainfall is always the chief inducing factor of debris Landslide. Therefore, to research stability of debris Landslide during rainfall not only has important theoretical significance for understanding developing law and deformation and failure mechanism of debris landslide, but also has important practical significance for investigating, appraising, forecasting, preventing and controlling debris landslides. This thesis systematically summarized the relationships between rainfall and landslide, the method to survey water table in the landslides, the deformation and failure mechanism of debris landslide, and the progress in the stability analysis of landslides based on the analyses of data collected widely at home and abroad. The problems in the study of the stability of debris landslide during rainfall was reviewed and discussed. Due to the complicated geological conditions and the random rainfall conditions, the research on the landslides' stability must be based on engineering geological qualitative analysis. Through the collection of the data about the Panxi region and the Three Gorges Reservoir region, the author systematically summarized the engineering geological conditions, hydro-geological condition, distribution characteristics of stress field in the slope, physical and mechanical properties and hydro-mechanical properties of debris. In the viewpoint of dynamics of soil water and hydromechanics, physical process of rainfall to supply groundwater of debris landslides can be divided into two phases, i.e. non-saturated steady infiltrating phase and saturated unsteady supplying phase. The former can be described by mathematical model of surface water infiltration while the latter can be described by equivalent continuous medium model of groundwater seepage. With regard to specific hydrological geology system, we can obtain the dynamic variation law of water content, water table, landslide stability of rock and soil mass, along with quantity and duration of rainfall after the boundary condition on hydrological geology has been ascertained. This is a new way to study the response law of groundwater in the landslides during rainfall. After wet face of rock and soil mass connects with ground water table, the raising of water table will occur due to the supply of rainfall. Then interaction between ground water and rock and soil mass will occur, such as the action of physics, water, chemistry and mechanics, which caused the decrease of shearing strength of sliding zone. According to the action of groundwater on rock and soil mass, a concise mechanical model of debris landslide’s deformation was established during rainfall. The static equilibrium condition of landslide mass system was achieved according to the concise mechanical model, and then the typical deformation and failure process and failure mode of debris landslide during rainfall were discussed. In this thesis, the former limiting equilibrium slice method was modified and improved based on shearing strength theory of , a stability analysis program of debris landslide was established and developed taking account of the saturated-unsaturated seepage, by introducing the shearing strength theory of unsaturated soil mass made by (1978). The program has reasonable data storage and simple interface and is easy to operate, and can be perfectly used to carry out sensitivity analysis of influencing factors of landslides' stability, integrated with the program of Office Excel. The design of drainage engineering are always bases on empirical methods and is short of effective quantitative analysis and appraise, therefore, the conception of critical water table of debris landslide was put forward. For debris landslides with different kinds of slide face in the engineering practice, a program to search the critical water table of debris landslide was developed based on native groundwater table. And groundwater table in the slope should be declined below the critical water table in the drainage works, so the program can be directly used to guide drainage works in the debris landslide. Taking the slope deformation body in the back of former factory building of Muli Shawan hydroelectric power station as an example, a systematic and detailed research on debris landslides' stability during rainfall was researched systematically, the relationship among quantity of rainfall, water table and stability of slope was established, the debris landslides' stability in process of rainfall from dynamic viewpoint was analyzed and researched.

典型人类活动对边坡变形及稳定性的影响研究

China is a mountainous country in which geological hazards occurred frequently, especially in the east of China. Except the geology, topography and extreme climate, the large scale human activities have become a major factor to landslides. Typical human activities which induced landslides are fill, cut and underground mining. On the topic of the deformation mechanism and slope stability, taking three different man-made slopes as examples, deformation mechanism and slope stability were studied by several methods, such as field work, numerical modeling and monitor. The details are as following: (1) The numerical modeling approach advantages over other conventional methods such as limit methods, so the numerical modeling is the major tool in this thesis. So far, there is no uniform failure criterion for numerical simulation. The failure criterion were summarized and analyzed firstly, subsequently the appropriate criterion was determinated. (2) Taking 220kV Yanjin transformation substation fill slope as example, the deformable characteristic, unstable mode and laboratory tests were studied systematically. The results show: the slope deformation was probably caused by a combination effect of unfavorable topographic, geological and hydro geological conditions, and external loading due to filling. It was concluded that the creep deformation of the slope was triggered by external loading applied at the back of the slope. In order to define the calculating parameters, a set of consolidated drained (CD) tests, consolidated undrained (CU) tests, repeated direct shear tests and UCS tests were carried out. The stability of the slope before and after reinforcement was assessed using 3D numerical modeling and shear strength reduction technique. The numerical modeling results showed: the factor of safety (FOS) of the slope was 1.10 in the natural state, and reduced to 1.03 after fill, which was close to the critical state and it caused creeping slip or deformation under rainfall. The failure surface in the slope is in active shear failure, whereas tensile failure occurs at the slope crest. After the site was reinforced with piles, the FOS was 1.27. Therefore, the slope is stable after reinforcement measures were taken. (3) The cut slope stability is a complex problem. Taking the left cut slope of Xiangjiaba as example in this thesis, the deformation and slope stability were studied systematically by numerical modeling and monitor methods. The numerical results show: the displacement is gradually increasing along with the cutting, and the largest displacement is 27.5mm which located at the bench between the elevation 340 and 380. Some failure state units distribute near the undermining part and there is no linked failure state occurred from crest to bottom during cutting. After cutting, some failure units appeared at the ground surface between elevation 340 and 360. The increasing tense stress made the disturbed rock failed. The slope is stable after cutting by the monitor method, such as surface monitor, multipoint displacement meter, inclinometer and anchor cable tensometer. (4) The interaction between underground mining and slope stability is a common situation in mountainous. The slope deformation mechanism induced by underground mining may contributed significantly to slope destabilization. The Mabukan slope in xiangjiaba was analyzed to illustrate this. Failure mechanism and the slope stability were presented by numerical modeling and residual deformation monitor. The results show: the roof deformed to the free face and the floor uplift lightly to the free face. The subsidence basin is formed, but the subsidence and the horizontal movement is small, and there is no failure zone occurred. When the underground mining is going on, the roof deformation, subsidence and the horizontal movements begin increasing. The rock deformation near the free face is larger than the ground surface, and the interaction between these coal seams appeared. There are some tensile failures and shear failures occurred on the roof and floor, and a majority of failure is tensile failure. The roof deformation, subsidence and the horizontal movements increased obviously along with the underground mining. The failure characteristic is shear failure which means the tensile stress transformed to the compressive stress. So the underground mining will induced tensile stress first which lead to structure crack, subsequently the compressive stress appeared which result in slippage. The crest was subjected to horizontal tension which made the rock crack along with the joint. The long term residual deformation monitor demonstrates that the slope is stable after the underground mining stopped.

海底金属矿床充水条件及矿坑突水的断层效应研究

The Xinli mine area of Sanshandao mine is adjacent to the Bohai Sea and its main exploitable ore deposit occurs in the undersea rock mass. The mine is the biggest undersea gold mine of China after production. The mine area faces a latent danger of water bursting, even sudden seawater inrush. There is no mature experience in undersea mining in China so far. The vein ore deposit is located in the lower wall of a fault; its possible groundwater sources mainly include bittern, Quaternary pore water and modern seawater. To ensure the safety of undersea mining, to survey the flooding conditions of the ore deposit using proper measures and study the potential seawater inrush pattern are the key technical problems. With the Xinli mine area as a case study, the engineering geological conditions of the Xinli mine area are surveyed in situ, the regional structural pattern and rock mass framework characteristics are found out, the distribution of the structural planes are modeled by a Monte Carlo method and the connectivity coefficients of rock mass structural planes are calculated. The regional hydro-geological conditions are analyzed and the in-situ hydro-geological investigation and sampling are performed in detail, the hydrochemistry and isotopes testing and groundwater dynamic monitoring are conducted, the recharge, runoff, discharge conditions are specified and the sources of flooding are distinguished. Some indices are selected from the testing results to calculate the proportion of each source in some water discharge points and in the whole water discharge of the Xinli mine area. The temporal and spatial variations of each water source of the whole ore deposit flooding are analyzed. According to the special project conditions in the Xinli mine area, the permeability coefficient tensors of the rock mass in Xinli mine area are calculated based on a fracture geometry measurement method, in terms of the connectivity and a few hydraulic testing results, a modified synthetic permeability coefficient are calculated. The hydro-geological conceptual and mathematical model are established，the water yield of mine is predicted using Visual Modflow code. The spreading law of surrounding rock mass deformation and secondary stress are studied by numerical analysis; the intrinsic mechanism of the faults slip caused by the excavation of ore deposit is analyzed. The results show that the development of surrounding rock mass deformation and secondary stress of vein ore deposit in the lower wall of a fault, is different from that in a thick-big ore deposit. The secondary stress caused by the excavation of vein ore deposit in the lower wall of a fault, is mainly distributed in the upper wall of the fault, one surface subsidence center will occur. The influences of fault on the rock mass movement, secondary stress and hydro-geological structures are analyzed; the secondary stress is blocked by the fault and the tensile stress concentration occurs in the rock mass near the fault, the original water blocking structure is destructed and the permeable structure is reconstructed, the primary structural planes begin to expand and newborn fissures occur, so the permeability of the original permeable structure is greatly enhanced, so the water bursting will probably occur. Based on this knowledge, the possible water inrush pattern and position of the Xinli mine area are predicted. Some computer programs are developed using object-oriented design method under the development platform Visual Studio.Net. These programs include a Monte Carlo simulation procedure, a joint diagrammatizing procedure, a structural planes connectivity coefficient calculating procedure, a permeability tensor calculating procedure, a water chemical formula edit and water source fixture conditions calculating procedure. A new computer mapping algorithm of joint iso-density diagram is raised. Based on the powerful spatial data management and icon functions of Geographic Information System, the pit water discharge dynamic monitoring data management information systems are established with ArcView.

地下水流动数值模拟的并行计算方法研究

Numerical modeling of groundwater is very important for understanding groundwater flow and solving hydrogeological problem. Today, groundwater studies require massive model cells and high calculation accuracy, which are beyond single-CPU computer’s capabilities. With the development of high performance parallel computing technologies, application of parallel computing method on numerical modeling of groundwater flow becomes necessary and important. Using parallel computing can improve the ability to resolve various hydro-geological and environmental problems. In this study, parallel computing method on two main types of modern parallel computer architecture, shared memory parallel systems and distributed shared memory parallel systems, are discussed. OpenMP and MPI (PETSc) are both used to parallelize the most widely used groundwater simulator, MODFLOW. Two parallel solvers, P-PCG and P-MODFLOW, were developed for MODFLOW. The parallelized MODFLOW was used to simulate regional groundwater flow in Beishan, Gansu Province, which is a potential high-level radioactive waste geological disposal area in China. 1. The OpenMP programming paradigm was used to parallelize the PCG (preconditioned conjugate-gradient method) solver, which is one of the main solver for MODFLOW. The parallel PCG solver, P-PCG, is verified using an 8-processor computer. Both the impact of compilers and different model domain sizes were considered in the numerical experiments. The largest test model has 1000 columns, 1000 rows and 1000 layers. Based on the timing results, execution times using the P-PCG solver are typically about 1.40 to 5.31 times faster than those using the serial one. In addition, the simulation results are the exact same as the original PCG solver, because the majority of serial codes were not changed. It is worth noting that this parallelizing approach reduces cost in terms of software maintenance because only a single source PCG solver code needs to be maintained in the MODFLOW source tree. 2. P-MODFLOW, a domain decomposition–based model implemented in a parallel computing environment is developed, which allows efficient simulation of a regional-scale groundwater flow. The basic approach partitions a large model domain into any number of sub-domains. Parallel processors are used to solve the model equations within each sub-domain. The use of domain decomposition method to achieve the MODFLOW program distributed shared memory parallel computing system will process the application of MODFLOW be extended to the fleet of the most popular systems, so that a large-scale simulation could take full advantage of hundreds or even thousands parallel processors. P-MODFLOW has a good parallel performance, with the maximum speedup of 18.32 (14 processors). Super linear speedups have been achieved in the parallel tests, indicating the efficiency and scalability of the code. Parallel program design, load balancing and full use of the PETSc were considered to achieve a highly efficient parallel program. 3. The characterization of regional ground water flow system is very important for high-level radioactive waste geological disposal. The Beishan area, located in northwestern Gansu Province, China, is selected as a potential site for disposal repository. The area includes about 80000 km2 and has complicated hydrogeological conditions, which greatly increase the computational effort of regional ground water flow models. In order to reduce computing time, parallel computing scheme was applied to regional ground water flow modeling. Models with over 10 million cells were used to simulate how the faults and different recharge conditions impact regional ground water flow pattern. The results of this study provide regional ground water flow information for the site characterization of the potential high-level radioactive waste disposal.