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81.
We have applied reactive transport simulations to evaluate conceptual models of hydrothermal fluid flow related to the Mesoproterozoic Mount Isa copper mineralisation. Numerical experiments have been performed specifically to investigate whether fluid flow was driven by mechanical deformation, higher than hydrostatic fluid pressure gradients, or thermal buoyancy, and what the mechanism of ore deposition was. One distinct feature of the Mount Isa mineralising system is a region of massive silica-rich alteration that surrounds the copper ore bodies within the Urquhart shale, indicating upward flow of a cooling fluid. Hydromechanical modelling revealed that contraction and horizontal shear can produce a dilation pattern that favours upward fluid flow, whereas strike slip movement causes dilation of pre-existing vertical structures. Reactive transport models show that hydraulic head driven flow is more likely to produce a more realistic silica alteration pattern than free thermal convection, but neither process generates a flow pattern capable of precipitating copper at the appropriate location. Instead we propose that gravity driven flow of a dense oxidised basin brine led to chalcopyrite mineralisation by fluid-rock reaction.  相似文献   
82.
This study examines the abundance of trace elements in surface sediments of a former acid sulfate soil (ASS) wetland subjected to marine tidal inundation. Sediment properties of this highly modified study site are compared with those of an adjacent unmodified, intertidal mangrove forest. Whilst some trace elements (Al, Cd, Mn, Ni and Zn) were clearly depleted due to mobilisation and leaching in the previous oxic-acidic phase, other trace elements (As and Cr) displayed significant enrichment in the tidally inundated ASS. Many trace elements were strongly associated with the reactive Fe and acid volatile sulfide (AVS) fractions, suggesting that trace elements may be adsorbed to abundant reactive Fe phases or sequestered as sulfide minerals. These findings provide an important understanding of the fate and mobility of reactive iron, AVS and trace elements during tidal remediation of a formerly acidified Great Barrier Reef (GBR) catchment.  相似文献   
83.
We present a new streamline-based numerical method for simulating reactive solute transport in porous media. The key innovation of the method is that both longitudinal and transverse dispersion are incorporated accurately without numerical dispersion. Dispersion is approximated in a flow-oriented grid using a combination of a one-dimensional finite difference scheme and a meshless approximation. In contrast to previous hybrid alternatives to incorporate dispersion in streamline-based simulations, the proposed scheme does not require a grid and, hence, it does not introduce numerical dispersion. In addition, the proposed scheme eliminates numerical oscillations and negative concentration values even when the dispersion tensor includes the off-diagonal coefficients and the flow field is non-uniform. We demonstrate that for a set of two- and three-dimensional benchmark problems, the new proposed streamline-based formulation compares favorably to two state of the art finite volume and hybrid Eulerian–Lagrangian solvers.  相似文献   
84.
This is Part-II of a two-part article that presents analytical solutions to multi-species reactive transport equations coupled through sorption and sequential first-order reactions. In Part-I, we provide the mathematical derivations and in this article we discuss the computational techniques for implementing these solutions. We adopt these techniques to develop a general computer code and use it to verify the solutions. We also simplify the general solutions for various special-case transport scenarios involving zero initial condition, identical retardation factors and zero advection. In addition to this, we derive specialized solution expressions for zero dispersion and steady-state conditions. Whereever possible, we compare these special-case solutions against previously published analytical solutions to establish the validity of the new solution. Finally, we test the new solution against other published analytical and semi-analytical solutions using a set of example problems.  相似文献   
85.
This paper presents an approach conducive to an evaluation of the probability density function (pdf) of spatio-temporal distributions of concentrations of reactive solutes (and associated reaction rates) evolving in a randomly heterogeneous aquifer. Most existing approaches to solute transport in heterogeneous media focus on providing expressions for space–time moments of concentrations. In general, only low order moments (unconditional or conditional mean and covariance) are computed. In some cases, this allows for obtaining a confidence interval associated with predictions of local concentrations. Common applications, such as risk assessment and vulnerability practices, require the assessment of extreme (low or high) concentration values. We start from the well-known approach of deconstructing the reactive transport problem into the analysis of a conservative transport process followed by speciation to (a) provide a partial differential equation (PDE) for the (conditional) pdf of conservative aqueous species, and (b) derive expressions for the pdf of reactive species and the associated reaction rate. When transport at the local scale is described by an Advection Dispersion Equation (ADE), the equation satisfied by the pdf of conservative species is non-local in space and time. It is similar to an ADE and includes an additional source term. The latter involves the contribution of dilution effects that counteract dispersive fluxes. In general, the PDE we provide must be solved numerically, in a Monte Carlo framework. In some cases, an approximation can be obtained through suitable localization of the governing equation. We illustrate the methodology to depict key features of transport in randomly stratified media in the absence of transverse dispersion effects. In this case, all the pdfs can be explicitly obtained, and their evolution with space and time is discussed.  相似文献   
86.
Significant volumes of the known hydrocarbon reserves are found in carbonate rocks, many of these dolomitized. The spatial distribution of diagenesis on these rocks is one of the main challenges in oil reservoir modeling. Reactive transport models can be a powerful tool to understand the active diagenetic processes and their effects on the quality of these reservoirs. In this study it was used, for the first time, the CMG-GEM simulator to model diagenetic evolution of a carbonate sequence, subjected to compaction-driven and geothermal flow in a simulated period of 200 thousand years. It was simulated carbonate cementation, dolomitization and dissolution, with and without presence of faults. Among the analyzed variables, the volume of circulating fluid was the most important factor. For both mechanisms, flow simulated velocities obtained had magnitudes smaller than 10−6 m/day. Diagenesis was insignificant for these low speeds at simulated time interval. Only dolomitized facies presented relevant diagenesis in form of calcite dissolution and dolomite precipitation. Simulations with flow rates of 1 m/day revealed a considerable increase in observed diagenesis, especially in carbonate cementation and in porosity enhancement. Diagenesis was more pronounced in more permeable sediments, highlighting the role of fluid flow in diagenetic reactions. Relative dissolution was greatly reduced during simulations performed with absence of dolomite and dolomitization reactions. The presence of faults strongly influences spatial distribution of diagenesis, especially relatively to dissolution. More permeable facies were more dissolved near fault, decreasing with increasing distance. Low permeability facies, as mudstones, are not dissolved, even near fault. Spatial distribution of diagenesis would then be dependent mainly on the quality of original pore structure, of fault presence and mineral composition of rock.  相似文献   
87.
Groundwater As concentrations >WHO limit (10 μg/L) are frequently found in the Po Plain (N. Italy). Although several hypotheses on As mobilization exist (i.e., reductive dissolution driven by peat degradation), the mechanisms of As release and subsequent attenuation acting in the multilayer aquifer in the Po Plain were poorly understood.The present work aims at implementing a reactive transport modeling of the aquifer system in Cremona, affected by As <183 μg/L, in order to quantify and test the feasibility of As release by the reductive dissolution of Fe-oxides driven by the degradation of peat contained in leaky aquitards and As attenuation downstream by the co-precipitation in iron sulfides.The model, based on a partial equilibrium approach, revealed that the observed As, Fe and Mn chemistry could be mostly explained by the simultaneous equilibrium between Fe-oxide and sulfate reduction and FeS precipitation and by the equilibrium of rhodochrosite precipitation/dissolution. Model results, together with litholog analysis, supported the assumption of peat as the likely source of organic matter driving As release. The model fitted to measured data showed that the peak in the organic carbon degradation rate at 20–40 m below surface (average of 0.67 mM/y), corresponding to the shallow peaty aquitard and the upper portion of the underlying semiconfined aquifer, is associated with the peak of net release of As (average of 0.32 μM/y) that is followed just downstream by a net precipitation in iron sulfides at 40–60 m below surface (average of 0.30 μM/y). These results support the assumptions of peaty aquifers as drivers of As release and iron sulfides as As traps. The model also outlined the following aspects that could have a broad applicability in other alluvial As affected aquifers worldwide: (a) shallow peaty aquitards may have a greater role in driving the As release since they likely have young and more reactive organic matter; (b) the occurrence of Fe-oxide reduction and FeS precipitation, that represent the As source and sink, together with sulfate reduction occurring simultaneously close to equilibrium may restrict the As mobility limiting the extent of contamination just downstream the source of organic matter that drives its release.  相似文献   
88.
Nitrogen (N) is an essential nutrient to support life, but if poorly managed, can adversely affect the environment, ecosystems and human health. The global challenge of achieving food security with minimal ecosystem degradation and human health impacts hinges on sustainable N management, which goes beyond farm level and requires concerted efforts from a range of stakeholders. While various metrics have been developed to inform N management, most of them focus on one or two stakeholders only. Few efforts have tried to integrate N metrics to derive a coherent set of actions for all stakeholders. Here we propose the “5 Ps” principles (Production, People, Planet, Policy and Partnerships) that shape guidelines for sustainable N management with multidimensional N metrics (i.e., N use efficiency, virtual N factor, N footprint, N neutrality, reactive N spatial intensity, N boundary, N price and N equity). The “5 Ps” principles address the environmental, social and economic dimensions of sustainability. These principles allow multidimensional evaluation of N management, highlight specific areas for improvement, direct future research, and support the design of effective policy and legislation. They facilitate collective actions of producers, consumers, researchers and policy makers towards sustainable N management regionally and globally.  相似文献   
89.
The paper aims at introducing practical methods for power capture performance enhancement of a heaving wave energy converter in irregular seas. The optimum control solution requires tuning to wave frequency based on wave force information. However, identification of the wave frequency in irregular seas is considered to be a complex and difficult task. This is partly due to technical difficulties in determination of the wave force. Besides, there are no clear guidelines for identification of wave frequency from an irregular sea state based wave force information. In a typical application, one of the available sources of information about the wave properties is the wave elevation record. The proposed approach presents a method for estimation of the wave frequency information from the wave elevation data by using signal processing and filtering techniques. The proposed method uses filters to generate an estimation of wave force information, which is used to identify the local wave frequency by method of a time-series analysis of the data. This wave frequency information is then used in tuning the device. The details of the proposed techniques, the model of the wave energy converter, the simulated sea states and the related simulation results are also presented.  相似文献   
90.
建立了利用Gas BenchⅡ联用同位素比值质谱仪(Gas BenchⅡ-IRMS)用于测定地下水中溴稳定同位素的方法.基于溴比氯更容易被重铬酸钾氧化的性质,将Br-氧化成Br2,而氯残留在原溶液中,从而把溴与氯分离开;再利用AgNO3将溴以AgBr的形式沉淀下来,然后将AgBr转化成CH3Br进行溴稳定同位素质谱测定.反应中,CH3I用量为20 μL,AgBr用量为0.5 mg.本测试流程需溴4~10 mg,质谱测试时间由1.5h缩短为800 s,测试精度优于±0.1‰(2σ).该方法可以用于地下水中溴同位素测定,在水文地质研究中具有广阔的应用前景.  相似文献   
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