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

Ralph Lehmann 《Journal of Atmospheric Chemistry》2004,47(1):45-78

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.  相似文献   

载荷试验确定基床系数修正方法的讨论   总被引：1，自引：0，他引：1  

李伟  高广运  邱畅 《上海国土资源》2004,(4):15-18

Winkler地基模型是目前工程界应用最广的一种地基模型，但对其关键参数——基床系数k的确定，许多文献的表述并不一致。该文在大量试验资料的基础上，通过对该问题的深入研究，阐明了通过载荷试验确定基床系数修正方法的有关概念。对于砂性土地基，载荷板试验得出的基准基床系数仅需要进行基础大小修正，而对于粘性土地基，则需要进行基础大小和基础形状两项修正。  相似文献   

利用钾长石粉水热合成13X沸石分子筛的实验研究   总被引：11，自引：0，他引：11  

白峰  马鸿文  章西焕 《矿物岩石地球化学通报》2004,23(1):10-14

对综合利用钾长石提钾工艺中的重要高附加值副产品13X沸石分子筛的合成进行了实验研究。对福建沙县的钾长石粉加入配料NaCO3进行焙烧实验，确定培烧的最佳工艺参数为：钾长石粉：NaCO3=1：1．30(摩尔比)，焙烧温度为845℃，焙烧时间为150min；优化的水热合成条件为M2O／SiO2(mo1)=1．50，H2O／M2O(mo1)=40．0，合成时间为8h，晶种加入量为9．0％。对合成样品化学成分分析、X射线物相分析、红外光谱分析、扫描电镜分析表明，合成13X沸石分子筛结晶完好，性能优良．水热反应经由溶解水合反应和聚合浓缩反应两大阶段。  相似文献   

Transformation of garnet epidote amphibolite to eclogite, western Dabie Mountains, China   总被引：8，自引：0，他引：8  

J. Liu  K. Ye 《Journal of Metamorphic Geology》2004,22(5):383-394

Omphacite and garnet coronas around amphibole occur in amphibolites in the Hong'an area, western Dabie Mountains, China. These amphibolites consist of an epidote–amphibolite facies assemblage of amphibole, garnet, albite, clinozoisite, paragonite, ilmenite and quartz, which is incompletely overprinted by an eclogite facies assemblage of garnet, omphacite and rutile. Coronas around amphibole can be divided into three types: an omphacite corona; a garnet–omphacite–rutile corona; and, a garnet–omphacite corona with less rutile. Chemographic analysis for local reaction domains in combination with petrographical observations show that reactions Amp + Ab + Pg = Omp +Czo + Qtz + H₂O, and Amp + Ab = Omp ± Czo + Qtz + H₂O may lead to the development of omphacite coronas. The garnet–omphacite–rutile corona was formed from the reaction Amp + Ab + Czo + Ilm ± Qtz = Omp + Grt + Rt + H₂O. In garnet–omphacite coronas, the garnet corona grew during an early stage of epidote amphibolite facies metamorphism, whereas omphacite probably formed by the reactions forming the omphacite corona during the eclogite facies stage. It is estimated that these reactions occurred at 0.8–1.4 GPa and 480–610 °C using the garnet–clinopyroxene thermometer and omphacite barometer in the presence of albite.  相似文献   

Two contrasted P–T–time paths of coronitic metanorites of the French Massif Central: are reaction textures reliable guides to metamorphic histories?     

C. NICOLLET  P. GONCALVES 《Journal of Metamorphic Geology》2005,23(2):97-105

Metanorites from two eclogitized metagabbros of the Hercynian French Massif Central preserve coronitic textures of hornblende, garnet, quartz and/or kyanite produced at the expense of the primary magmatic assemblage orthopyroxene and plagioclase. Using a petrogenetic grid in the CFMASH system, two possible P–T evolutions for the origin of the coronas are evaluated. The sequence of reactions involving the formation of Hbl (–Ky) ± Grt and Qtz coronitic assemblages is consistent with an isobaric cooling at high pressure (c. 1–2 GPa) under hydrated conditions. However, this P–T path, inferred by using only petrographical observations, is inconsistent with the geochronological constraints: emplacement of the gabbro at 490 Ma and high‐pressure metamorphism at 410 Ma. In order to reconcile petrographical observations with geochronological constraints, we propose a discontinuous two‐stage evolution involving a change in water activity with time. (1) Emplacement and cooling of the norite at low pressure under anhydrous conditions, at 490 Ma. (2) During the Hercynian orogeny, the norite experienced an increase in pressure and temperature under fluid‐present conditions. Adding water to the system implies a dramatic change in the petrogenetic grid topology, restricting the orthopyroxene–plagioclase assemblage only to high temperatures. Therefore, the breakdown of the unstable magmatic assemblage, through apparent retrograde reactions, occurred along the prograde P–T path which never crossed the equilibrium boundaries of these reactions.  相似文献   

Reaction localization and softening of texturally hardened mylonites in a reactivated fault zone, central Argentina   总被引：6，自引：0，他引：6  

S. J. WHITMEYER  R. P. WINTSCH 《Journal of Metamorphic Geology》2005,23(6):411-424

The Tres Arboles ductile fault zone in the Eastern Sierras Pampeanas, central Argentina, experienced multiple ductile deformation and faulting events that involved a variety of textural and reaction hardening and softening processes. Much of the fault zone is characterized by a (D2) ultramylonite, composed of fine‐grained biotite + plagioclase, that lacks a well‐defined preferred orientation. The D2 fabric consists of a strong network of intergrown and interlocking grains that show little textural evidence for dislocation or dissolution creep. These ultramylonites contain gneissic rock fragments and porphyroclasts of plagioclase, sillimanite and garnet inherited from the gneissic and migmatitic protolith (D1) of the hangingwall. The assemblage of garnet + sillimanite + biotite suggests that D1‐related fabrics developed under upper amphibolite facies conditions, and the persistence of biotite + garnet + sillimanite + plagioclase suggests that the ultramylonite of D2 developed under middle amphibolite facies conditions. Greenschist facies, mylonitic shear bands (D3) locally overprint D2 ultramylonites. Fine‐grained folia of muscovite + chlorite ± biotite truncate earlier biotite + plagioclase textures, and coarser‐grained muscovite partially replaces relic sillimanite grains. Anorthite content of shear band (D3) plagioclase is c. An30, distinct from D1 and D2 plagioclase (c. An35). The anorthite content of D3 plagioclase is consistent with a pervasive grain boundary fluid that facilitated partial replacement of plagioclase by muscovite. Biotite is partially replaced by muscovite and/or chlorite, particularly in areas of inferred high strain. Quartz precipitated in porphyroclast pressure shadows and ribbons that help define the mylonitic fabric. All D3 reactions require the introduction of H⁺ and/or H₂O, indicating an open system, and typically result in a volume decrease. Syntectonic D3 muscovite + quartz + chlorite preferentially grew in an orientation favourable for strain localization, which produced a strong textural softening. Strain localization occurred only where reactions progressed with the infiltration of aqueous fluids, on a scale of hundreds of micrometre. Local fracturing and microseismicity may have induced reactivation of the fault zone and the initial introduction of fluids. However, the predominant greenschist facies deformation (D3) along discrete shear bands was primarily a consequence of the localization of replacement reactions in a partially open system.  相似文献   

佳木斯地块西缘金矿带构造效应与壳幔作用--以鹤岗隆起为例     

徐受民赵海滨  于荣文 《华东地质学院学报》2005,28(4):325-328

佳木斯地块西缘金矿带的形成受左行走滑断裂带和深部流体控制，壳-幔作用和地球动力体制转换是成矿物质活化→运移→聚集→成矿的基本动力学保障，构造应力场转换是其重要表现形式。深切地幔牡丹江岩石圈断裂的活动发生了深熔作用，使成矿物质得以活化、运移的重要驱动力，是成岩成矿作用发生的根本原因之一。地幔流体通过壳-幔相互作用形成了含矿流体，为流体成矿作用提供了矿源，并沿深断裂运移到更高的层位，在物理化学条件发生改变时沉积成矿。佳木斯地块西缘金矿带是受深断裂控制的，矿床之间是相互联系的，是在一个构造应力体制下完成它们的成矿作用的。北北东向和伴生的北西西向断裂，并有中生代浅成-超浅成岩体或脉岩侵位是今后找矿的方向。  相似文献   

A new numerical approach to the hyperstatic reaction method for segmental tunnel linings     

Ngoc Anh Do  Daniel Dias  Pierpaolo Oreste  Irini Djeran‐Maigre 《国际地质力学数值与分析法杂志》2014,38(15):1617-1632

This paper proposes a numerical approach to the hyperstatic reaction method (HRM) for the analysis of segmental tunnel linings. The influence of segmental joints has been considered directly using a fixity ratio that is determined on the basis of the rotational stiffness. The parameters necessary for the calculation are presented. A specific implementation has been developed using a FEM framework. This code is able to consider the three‐dimensional (3D) effect of segment joints in successive rings on the tunnel lining behaviour. The present HRM allows one to take an arbitrary distribution of segment joints along the tunnel boundary into consideration. In addition, the rotational stiffness of segment joints has been simulated using nonlinear behaviour, as it is closer to the true behaviour of a joint than linear or bilinear behaviour. The numerical results of three hypotheses on ring interaction, which allow the 3D effect of a segmental tunnel lining to be taken into account, have been compared with data obtained from the shield‐driven tunnel of the Bologna–Florence high‐speed railway line project. The numerical results presented in the paper show that the proposed HRM can be used to effectively estimate the behaviour of a segmental tunnel lining. Copyright © 2014 John Wiley & Sons, Ltd.  相似文献   

Controls on metamorphic equilibration: the importance of intergranular solubilities mediated by fluid composition          下载免费PDF全文

W. D. Carlson  J. D. Hixon  J. M. Garber  R. J. Bodnar 《Journal of Metamorphic Geology》2015,33(2):123-146

A dramatic demonstration of the role of intergranular solubility in promoting chemical equilibration during metamorphism is found in the unusual zoning of garnet in pelitic schist exposed at Harpswell Neck, Maine, USA. Many garnet crystals have irregular, patchy distributions of Mn, Cr, Fe and Mg in their inclusion‐rich interiors, transitioning to smooth, concentric zoning in their inclusion‐poor outer rims; in contrast, zoning of Ca and Y is comparatively smooth and concentric throughout. We re‐assess the disputed origin of these zoning features by examining garnet growth in the context of the thermal and structural history of the rocks, and by evaluating the record of fluid–rock interaction revealed in outcrop‐scale veining and fluid‐inclusion assemblages. The transition in the character of garnet zoning correlates with the onset of a synkinematic, simple‐shear‐dominated phase of garnet growth and with a shift in the composition of the intergranular fluid from CO₂‐rich to H₂O‐rich. Compositional variations in garnet are therefore best explained by a two‐stage growth history in which intergranular diffusive fluxes reflect differences in the concentration of dissolved species in these two contrasting fluids. Interiors of garnet crystals grew in the presence of a CO₂‐rich fluid, in which limited solubility for Mn and Cr (and perhaps Fe and Mg) produced patchy disequilibrium overprint zoning, while appreciable solubility for Ca and Y permitted their rock‐wide equilibration. Rims grew in the presence of an H₂O‐rich fluid, in which high intergranular concentrations for all elements except Cr enabled diffusion over length scales sufficient for rock‐wide equilibration. This striking example of partial chemical equilibrium during reaction and porphyroblast growth implies that thermal effects may commonly be subsidiary in importance to solubilities in the intergranular medium as determinants of length scales for metamorphic equilibration.  相似文献   

Reaction softening by dissolution–precipitation creep in a retrograde greenschist facies ductile shear zone,New Hampshire,USA          下载免费PDF全文

R. J. McAleer  D. L. Bish  M. J. Kunk  K. R. Sicard  P. M. Valley  G. J. Walsh  B. A. Wathen  R. P. Wintsch 《Journal of Metamorphic Geology》2017,35(1):95-119

We describe strain localization by a mixed process of reaction and microstructural softening in a lower greenschist facies ductile fault zone that transposes and replaces middle to upper amphibolite facies fabrics and mineral assemblages in the host schist of the Littleton Formation near Claremont, New Hampshire. Here, Na‐poor muscovite and chlorite progressively replace first staurolite, then garnet, and finally biotite porphyroblasts as the core of the fault zone is approached. Across the transect, higher grade fabric‐forming Na‐rich muscovite is also progressively replaced by fabric‐forming Na‐poor muscovite. The mineralogy of the new phyllonitic fault‐rock produced is dominated by Na‐poor muscovite and chlorite together with late albite porphyroblasts. The replacement of the amphibolite facies porphyroblasts by muscovite and chlorite is pseudomorphic in some samples and shows that the chemical metastability of the porphyroblasts is sufficient to drive replacement. In contrast, element mapping shows that fabric‐forming Na‐rich muscovite is selectively replaced at high‐strain microstructural sites, indicating that strain energy played an important role in activating the dissolution of the compositionally metastable muscovite. The replacement of strong, high‐grade porphyroblasts by weaker Na‐poor muscovite and chlorite constitutes reaction softening. The crystallization of parallel and contiguous mica in the retrograde foliation at the expense of the earlier and locally crenulated Na‐rich muscovite‐defined foliation destroys not only the metastable high‐grade mineralogy, but also its stronger geometry. This process constitutes both reaction and microstructural softening. The deformation mechanism here was thus one of dissolution–precipitation creep, activated at considerably lower stresses than might be predicted in quartzofeldspathic rocks at the same lower greenschist facies conditions.  相似文献