3D chemical model for geological macromolecules

This study defines a chemical representation of the kerogen macromolecule based on data from physicochemical analyses. The model should permit: creation of various schematic drawings representing an average macromolecule; future integration of new analytical results (for instance on structures of biomarkers or biopolymers); and determination of the distribution of chemical bonds.The models developed in this study can be represented in a 3D space, using classical chemical symbols, in the form of cyclic groups linked to each other by aliphatic chains. One cyclic group is a connected set of aromatic, naphthenoaromatic or naphthenic rings. These cyclic groups are constructed using basic elements such as atoms and bonds defined by their length and direction.Modeling of kerogen is done in three successive steps. A library is first created to define atoms, bonds and cyclic groups. Secondly, starting from a set of equations describing the analytical results, cyclic and aliphatic groups are chosen in the appropriate stoechiometric amount to match the analytical data. Finally the construction is done: cyclic groups are placed randomly in a 3D space, connections are made by aliphatic chains, and functional groups are added.The molecular modeling software Xmol^TM can be operated on APOLLO stations. It allows the creation of libraries, the calculation of chemical bonds corresponding to the analyses and the construction of macromolecules. An example is given for a type III kerogen at the beginning of diagenesis.     

Anisotropy beneath Hawaii from surface wave particle motion observations

Observed polarization ellipses for fundamental-mode surface waves observed at a digital station in Hawaii deviate from those expected for isotropic models of crust and mantle structure for that region. The anomalous motion occurs as rotations of the ellipse about all three axes in a cartesian corrdinate system. The largest and most consistent deviations occur as anomalous slopes of the ellipse about the horizontal axis transverse to the direction of propagation.The observed orientations and magnitudes of these angles can be explained by models of the upper mantle which contain olivine for which thea-axis dips significantly from the horizontal and which includes a sufficiently thick sedimentary layer (1 km) and a thicker than normal oceanic crust (15 km). The ellipses are also generally inclined from great circle paths about the vertical axis and are tilted about the axis aligned with the propagation direction. Both angles are small and difficult to measure, but the inclination angles are consistent with a model of the upper mantle in which thea-axis of olivine is preferentially oriented in an east-west direction.     

岩浆分离结晶作用过程微量元素反演

介绍岩浆分离结晶作用中微量元素系统反演的基本原理和方法,反演计算中极小化问题的求解,反演所需要的优选模式参数估计方法,进行反演的计算机程序,利用模拟数据和实测数据检验了方法和程序的有效性.     

Fractal properties of simulated bed profiles in coarse-grained channels

Bed roughness characteristics in coarse-grained channels are fairly complex. A hierarchy of roughness elements can be observed, ranging from variable particle sizes and shapes and small-scale sedimentary structures, to large-scale bedforms such as riffle-pool sequences. The effects of these scales of roughness on the flow geometry still remain to be thoroughly investigated. The semivariogram has been suggested in the past as a means of quantifying bed roughness effects on streamflow, as well as for distinguishing between scales of roughness. However, field measurements are rather time-consuming. The low number of bed profiles measured in the field precludes the identification of generally applicable relationships between the statistical properties derived from the semivariograms (such as the Hausdorff dimensions and the scale of autocorrelation corresponding to each fractal band) and the bed configuration itself (geometrical and sedimentological properties). Simulation results of gravel-bed profiles are, therefore, presented in order to complement the original investigation of Robert (1988a). The simulation experiments, based on grain characteristics of sizes and shapes and on morphological properties of small-scale bedforms, yield very significant information on boundary roughness at the microscale and give insight into the interpretation of empirical semivariograms (derived from field measurements). Bed-material sorting, variable grain shapes, and height and spacing of cluster bedforms control the fractal dimensions obtained from the semivariograms, as well as the location of the break of slope and the range of the process.     

The warm pool in the Indian Ocean

The structure of the warm pool (region with temperature greater than 28°C) in the equatorial Indian Ocean is examined and compared with its counterpart in the Pacific Ocean using the climatology of Levitus. Though the Pacific warm pool is larger and warmer, a peculiarity of the pool in the Indian Ocean is its seasonal variation. The surface area of the pool changes from 24 × 10⁶ km² in April to 8 × 10⁶ km² in September due to interaction with the southwest monsoon. The annual cycles of sea surface temperature at locations covered by the pool during at least a part of the year show the following modes: (i) a cycle with no significant variation (observed in the western equatorial Pacific and central and eastern equatorial Indian Ocean), (ii) a single maximum/minimum (northern and southern part of the Pacific warm pool and the south Indian Ocean), (iii) two maxima/minima (Arabian Sea, western equatorial Indian Ocean and southern Bay of Bengal), and (iv) a rapid rise, a steady phase and a rapid fall (northern Bay of Bengal).     

Assessment of episodic acidification in Sierra Nevada,California

Monte-Carlo simulations were used to assess the extent of shortterm alkalinity depressions occuring in Sierra Nevada lakes due to acidic deposition events. The Episodic Event Model (EEM) was used to simulate spring snowmelt events. Snow course data, precipitation data and lake acidification surveys were used to derive values for the EEM parameters. Spring snowmelt events were shown to have great impacts on the water quality of Sierran lakes. Lakes are likely to be most affected by the early-spring snowmelt event because the epilimnion depth is at a minimum, which indicates minimum dilution. Under annual average loading conditions, no Sierran lake has been reported as acidic although 29% of the lakes have alkalinities less than 40 µeq/L indicating a sensitivity to acidification. In simulations of early-spring snowmelt events, using present-day acidic loading conditions, it was estimated 79% ± 9% of the lakes would experience shortterm lake alkalinity depressions to levels less than 40 µeq/L. The results provided by the model simulations are valuable in establishing upper and lower limits on the extent of possible episodic acidification to lake-resources-at-risk. The most critical parameters controlling the magnitude of lake alkalinity depressions during snowmelt episodic events are a) the lake area to watershed area ratio — a measure of input loading, and b) the epilimnion volume — a measure of dilution and mixing.     

NUMERICAL EXPERIMENTS ON THE EFFECT OF QINGHAIXIZANG PLATEAU SNOW COVER ON SUMMER MONSOON FORMATION

The calculating schemes of underlying surface processes in the model described by Li et al.(1989)are modified with inclusion of simple land surface processes and oceanic mixed layer processes,then a simulation on the zonal wind along 90°E from the Northern to the Southern Hemisphere with moun-tains is performed.Comparisons of the results and the observations show that the modified model not onlyhas an excellent stability in calculation but also can better display the seasonal change of the wind field,theability of the present model is improved as compared with that of the previous one.Based on the simulations,the authors investigate the effects of Qinghai-Xizang Plateau snow cover on theformation of South Asian monsoon by thickcning the snow depth and by increasing the snow albedo.Themain results arc as follows:The summer meridional circulation over the south of the Plateau and its vicinityis weakeued,and the precipitation reduced.However,over the northern tropics,the circulation is enhanced,and the ecipitation is increased,and the land and the air above it become warmer,the tropical easterly jetis weakened.     

A NUMERICAL MODEL FOR SEDIMENTATION IN FENHE RESERVOIR AND THE ADJOINING REACHES

In this paper, a numerical model for sedimentation in Fenhe Reservoir and the adjoining reaches has been presented on the basis of the theory of non-equilibrium sediment transport. The model is calibrated by using a part of the sediment data collected for Fenhe Reservoir and checked by simulating the remaining data. Moreover, the method of optimization in nonlinear programming has been applied to determine the basic parameters of the model applying a concept of fuzzy mathematics to formulate the objective functions. The computed amounts of reservoir deposition and channel deformation arc found to be substantially in agreement with the values observed.