An Algorithm for the Determination of All Significant Pathways in Chemical Reaction Systems

When the output of a complex chemical model is analysed, a typical topic isthe determination of pathways, i.e., reaction sequences, that produce ordestroy a chemical species of interest.A representative example is the investigation of catalytic ozone destruction cycles in the stratosphere.An algorithm for the automatic determination of pathways in any given reactionsystem is presented. Under the assumption that reaction rates are known, it finds all significant pathways, i.e., all pathways with a rate above a prescribed threshold.The algorithm forms pathways step by step, starting from single reactions.The chemical species in the system are consecutively considered as `branching points'.For every branching-point species, each pathway producing it is connected witheach pathway consuming it.Rates proportional to `branching probabilities' are calculated.Pathways with a rate that is smaller than a prescribed threshold arediscarded.If a newly formed pathway contains sub-pathways, e.g., null cycles, it is split into these simpler pathways.In order to demonstrate the performance of the algorithm, it has been applied to the determination of catalytic ozone destruction cycles and methaneoxidation pathways in the stratosphere.     

数据分析法确定嶂山闸闸基渗透压力

闸基渗透压力是影响水闸闸室稳定的关键性因素。当水闸同时受到上下游水位差、基底承压水头、粘性土地基扬压力滞后等多重因素作用时 ,闸基渗透压力的估算就变得比较困难。通过对嶂山闸闸基历年实测渗透压力数据进行统计分析 ,初步揭示其基底渗透压力的变化规律 ,为该闸闸室稳定性分析提供依据。     

中国稻田甲烷产生和排放研究 Ⅰ.产生和排放机理及其影响因子

综合论述了近 2 0年来中国稻田甲烷排放的研究状况 ,包括中国稻田甲烷排放通量的观测 ,稻田甲烷生成的生物学机理及产生、转化、传输的机理研究 ,稻田甲烷排放的影响因子 ,主要介绍了稻田甲烷产生和氧化过程、影响甲烷排放的因子     

中国稻田甲烷产生和排放研究 Ⅱ.模式研究和减排措施

主要介绍了近 2 0年来稻田甲烷排放的模式研究和排放量的估算以及减少稻田甲烷排放的措施。数值模式是估算稻田甲烷排放量的一条有效途径 ,模式的研究现在正处于发展阶段。介绍了几个主要的模型 ,既有物理过程模型也有经验模型。年排放量的估算范围为 6 79～ 4 1 4Tg ,随着技术的发展和大量实验的进行估算值的精度正得到不断的提高。减排措施是减少稻田甲烷排放的必要手段 ,但是目前的减排技术均处于研究阶段 ,应用还不成熟     

非均质土坝稳定性的渗流场和应力场耦合分析

綦于多孔介质的渗流特性和土的非线性本构关系，研究了渗流场与应力场的耦合效应，并针对一实际十坝建立了非线性耦合分析模型，探讨了位于软基之上的非均质土坝的渗流与应力耦合规律。分析结果表明，在渗流作用下，坝休和坝基中渗流与应力的相互作用是不应忽视的，其作用结果将会使土坝、特别足防渗心端附近应力水平和渗透坡降均有不同程度的提高，表明考虑渗流场和应力场耦合作用的计算结果对土坝稳定安全性不利。     

考虑渗流力时对太沙基一维固结理论的修正

考虑渗流力的作用，对太沙基一维固结理论进行了修正，给出了向上及向下渗流时固结度的表达式，并分析了固结过程中渗流应力的变化规律。结果表明：渗流力对固结度的影响较大，特别是在时间因素Tv=0.1附近，是否考虑渗流力的影响将导致固结度的差值达30 %，因而渗流力对固结度的影响是不可忽略的。     

煤层气在煤储层中的扩散及其影响因素

煤层气在煤储层中的扩散是指从煤基质孔隙表面上解吸的煤层气运移到割理系统的主要过程。发生扩散的前提条件是气体浓度差的出现，衡量扩散能力大小的重要参数是扩散系数。前者为由解吸速度、解吸气量和煤层气产量、井孔压力降等因素控制的动态参数，而后者为主要受扩散物质性质、扩散介质特征、扩散系统的温度、压力和孔隙结构形态等因素影响的静态参数。煤层气在煤储层中的扩散量与煤层气浓度差和扩散系数呈正比关系。     

降雨条件下岩土饱和-非饱和渗流分析

基于Buckley-Leverett两相渗流方程,提出了新的岩土饱和-非饱和渗流数学模型,利用有限差分方法给出了隐式压力显示饱和度数值求解方法,编制了饱和-非饱和渗流计算程序.结合工程实例,模拟了降雨入渗条件下边坡岩体渗流场孔隙压力变化和含水饱和度变化,模拟结果验证了所提出的模型对饱和-非饱和渗流的有效性.     

Kinetic-simulating experiment combined with GC-IRMS analysis: application to identification and assessment of coal-derived methane from Zhongba Gas Field (Sichuan Basin, China)

The main purpose of this study is to model the δ¹³C values of methane derived from coal by combining kinetic-simulating experiment with the gas chromatography-isotope ratio mass spectrum (GC-IRMS) analysis. The stable carbon isotopic variation of methane in pyrolysates with heating temperature indicates that the assumptions for both a constant kinetic isotope effect (α) and a uniform initial isotopic composition (δ¹³C_o) are impractical for explaining the carbon isotopic fractionation during coalification. For purposes of simplification, two approaches are used in this paper to deal with the heterogeneity of terrestrial organic matter. One is that, assuming a uniform initial isotopic composition (i.e., δ¹³C_{i, o}=δ¹³C_o) for all methane-generating precursors in coal, the isotopic variation of methane is fitted by adjusting ΔE_{a, i} (E_{a¹³C, i}−E_{a¹²C, i}) for each hypothetical reaction. The other is that, assuming a constant kinetic isotope effect during the whole gas formation, that is all ΔE_{a, i} values are identical, the modeling of methane isotopic composition is achieved by changing the ¹³CH₄ generation potential of each reaction (f_{i, ¹³C}), namely, by adjusting the initial δ¹³C value (δ¹³C_{i, o}) for each methane-generating precursor. Results of the kinetic calculation shows that the two simulating methods can yield a similar result at a geological heating rate of 2 °C/My, which further demonstrates that those natural gases with methane δ¹³C value being approximately −36‰ are possibly sourced from the upper Triassic coal measure strata in the Northwestern Sichuan Basin.     

Application of AVO Analysis to Seismic Data for Detection of Gas below Methane Hydrate Stability Zone in Nankai Trough Area

Abstract. For the purpose of development of methane hydrate, occurring in the deep marine subsurface, as a resource, the most important issue is to understand the methane hydrate system (generation, migration and accumulation) as well as to delineate the methane hydrate reservoir properties. We have applied the Amplitude Versus Offset (AVO) analysis to the seismic data acquired in the Nankai Trough, offshore Japan, in order to confirm the occurrence of gas just below the methane hydrate-bearing zone, assuming that gas will show a so-called Class-3 AVO response. Knowledge of the amount and occurrence of gas in the sediment below methane hydrate-bearing zone is one of the keys to understand the methane hydrate system.
We have utilized the qualitative analysis of AVO methodology to delineate how gas is located below the BSR, which is thought to be the reflection event from the interface between the methane hydrate-bearing zone and the underlying gas-bearing zone. In the region of MITI Nankai Trough Well PSW-3, we observe two BSRs separated by 25 ms. After AVO modeling using well data, we applied AVO attribute analysis and attribute crossplot analysis to the seismic data. Finally we applied an offset-amplitude analysis to CMP gather data at specific locations to confirm the results of AVO attribute analysis. The AVO analysis shows that there is very little gas located in the underlying sediment below methane hydrate-bearing zone. This result supports the fact that we could not obtain any clear evidence of gas occurrence just below the methane hydrate-bearing zone in the Nankai Trough well drilling.