The anthracite smokers of eastern pennsylvania: PS2 (g)P_{S_2 (g)} -T stability diagram by TL analysis

Coal seams and culm banks associated with mine fires in the anthracite region of eastern Pennsylvania have been burning for decades. Many of the fires may have ignited by spontaneous combustion or by the burning of trash. Minerals associated with the combustion of anthracite form by the condensation of gas exhaled through surficial gas vents or anthracite smokers. A Pressure-Temperature (P-T) stability diagram is constructed for the condensation of orthorhombic sulfur from anthracite gas using Thermodynamic Loop Analysis (TL analysis). This method of analyzing chemical systems incorporates Kirchhoff's Law into a four step procedure structured around a closed thermodynamic cycle or thermodynamic loop. The four steps, referred to us The Four S S of Thermodynamic Loop Analysis, include: (1) Set Up—graphical characterization of the problem. (2) Sum—the application of thermodynamic principles. (3) Substitute—the use of materials data available from the literature, and (4) Solve—computation of one or more variables. The example presented demonstrates that thermodynamic loops can incorporate any number of polymorphic phase transformations. In addition, thermodynamic loop analysis is applicable to any geologic process involving the condensation of minerals from a gas. The stability diagram derived by TL analysis may have applicability in monitoring the release of sulfur gas into the atmosphere.     

The Significance of Multiple Saturation Points in the Context of Polybaric Near-fractional Melting

Experimental petrologists have successfully located basalticliquid compositions parental to mid-ocean ridge basalt thatare, within experimental resolution, multiply saturated withthree-phase harzburgite or four-phase lherzolite assemblageson their liquidus at some elevated pressure. Such an experimentalresult is a necessary consequence of any paradigm in which eruptedbasalts derive from single-batch primary liquids that equilibratewith a mantle residue and undergo no subsequent magma mixingbefore differentiation and eruption. Here we investigate whether,conversely, such evidence of multiple saturation is sufficientto exclude dynamic melting models wherein increments of meltare mixed after segregation from residues, during melt transportor in magma chambers. Using two independent models of crystal–liquidequilibria to simulate polybaric near-fractional peridotitemelting, we find that aggregate liquids from such melting processescan display near-intersections of liquidus surfaces too closeto distinguish experimentally from exact multiple saturationpoints. Given uncertainties in glass compositions, fractionationcorrections, experimental temperature and pressure conditions,and achievement of equilibrium, these results suggest that polybaricmixtures can in fact masquerade as mantle-equilibrated single-batchprimary liquids. Multiple saturation points on the liquidussurfaces of primitive basalts do, however, preserve informationabout the average pressure of extraction of their constituentincrements of liquid. KEY WORDS: mantle melting; basaltic volcanism; experimental igneous petrology; thermodynamic modelling; inverse method     

Thermodynamic conditions of framework grain dissolution of clastic rocks and its application in Kela 2 gas field

Feldspar and clastic debris are the most important constituent framework grains of sedimentary clastic rocks and their chemical dissolution plays an essential role in the formation and evolution of the secondary pore in the reservoir rocks. On the basis of thermodynamic phase equilibrium, this study investigates the chemical equilibrium relationships between fluid and various plagioclase and K-feldspar in diagenesis of the sediments, particularly, the impact of temperature and fluid compositions (pH, activity of K+, Na+, Ca2+ and so on) on precipitation and dissolution equilibria of feldspars. Feldspar is extremely easily dissolved in the acid pore water with a low salinity when temperature decreases. The dissolution of anorthite end-member of plagioclase is related to the Ca content of the mineral and the fluid, higher Ca either in the mineral or in the fluid, easier dissolution of the feldspar. Moreover, the dissolution of albite end-member of plagioclase is related to Na of both the mineral and fluid,     

Dynamics of Saxothuringian subduction channel/wedge constrained by phase‐equilibria modelling and micro‐fabric analysis

Subduction and exhumation dynamics can be investigated through analysis of metamorphic and deformational evolution of associated high‐grade rocks. The Erzgebirge anticline, which forms at the boundary between the Saxothuringian and Teplá‐Barrandian domains of the Bohemian Massif, provides a useful study area for these processes owing to the occurrence of numerous meta‐basites preserving eclogite facies assemblages, and coesite and diamond bearing quartzofeldspathic lithologies indicating subduction to deep mantle depths. The prograde and retrograde evolution of meta‐basite from the Czech portion of the Erzgebirge anticline has been constrained through a combination of thermodynamic modelling and conventional thermobarometry. Garnet growth zoning indicates that the rocks underwent burial and heating to peak conditions of 2.6 GPa and at least 615 °C. Initial exhumation occurred with concurrent cooling and decompression resulting in the growth of amphibole and zoisite poikiloblasts overgrowing and including the eclogite facies assemblage. The development of clinopyroxene–plagioclase–amphibole symplectites after omphacite and Al‐rich rims on matrix amphibole indicate later heating at the base of the lower crust. Omphacite microstructures, in particular grain size analysis and lattice‐preferred orientations, indicate that the prograde evolution was characterized by a constrictional strain geometry transitioning into plane strain and oblate fabrics during exhumation. The initial constrictional strain pattern is interpreted as being controlled by competing slab pull and crustal buoyancy forces leading to necking of the subducting slab. The transition to plane strain and flattening geometries represents transfer of material from the subducting lithosphere into a subduction channel, break‐off of the dense slab and rebound of the buoyant crustal material.     

相变前的热力学平衡态对铁电液晶排列的影响

本实验选用ZLI-3654型铁电液晶(FLC)以及SE-3140型取向剂制备FLC器件样品,通过改变FLC相变过程中的降温速率以及相变前的热力学平衡态来研究FLC相变前的热力学平衡态对FLC排列的影响,共进行了十组实验.实验后,将FLC器件静态对比度进行比较,得出手性向列相到近晶A相(N^*-SmA)相变前的热力学平衡态对FLC实现均匀排列起着极其重要的作用的结论.实验结果表明:器件的静态对比度可高达620 ∶1, N^*-SmA相变前的热力学平衡态有利于形成高对比     

Cu3 N弹性和热力学性质的第一性原理研究

利用基于密度泛函理论的第一性原理全势线性缀加平面波方法,研究了立方反ReO₃结构Cu₃N在零温(0 K)零压下的平衡晶格常数、体弹模量及其对压强的一阶导数,计算结果与其他实验及理论结果基本相符. 同时得出Cu₃N的弹性常数,Poisson比等,并分析出Cu₃N在零温零压下是稳定的. 通过准谐Debye模型计算Cu₃N的热力学性质,得到了Cu₃N的晶格常数、等压比热容、等容比热     

Petrogenetic modelling of strongly residual metapelitic xenoliths within the southern Platreef,Bushveld Complex,South Africa

Xenoliths of quartz‐absent Fe‐rich aluminous metapelite are common within the platinum group element‐rich mafic/ultramafic magmatic rocks of the Platreef. Relative to well‐characterized protoliths, the xenoliths are strongly depleted in K₂O and H₂O, and have lost a substantial amount of melt (>50 vol.%). Mineral equilibria calculations in the NCKFMASHTO system yield results that are consistent with observations in natural samples. Lower‐grade rocks that lack staurolite constrain peak pressures to ～2.5 kbar in the southern Platreef. Smaller xenoliths and the margins of larger xenoliths comprise micro‐diatexite rich in coarse acicular corundum and spinel, which record evidence for the metastable persistence of lower‐grade hydrous phases and rapid melting consequent on a temperature overstep of several hundred degrees following their incorporation in the mafic/ultramafic magmas. In the cores of larger xenoliths, temperatures increased more slowly enabling progressive metamorphism by continuous prograde equilibration and the loss of H₂O by subsolidus dehydration; the H₂O migrated to xenolith margins where it may have promoted increased melting. According to variations in the original compositional layering, layers became aluminosilicate‐ and/or cordierite‐rich, commonly with spinel but only rarely with corundum. The differing mineralogical and microstructural evolution of the xenoliths depends on heating rates (governed by their size and, therefore, proximity to the Platreef magmas) and the pre‐intrusive metamorphic grade of the protoliths. The presence or absence of certain phases, particularly corundum, is strongly influenced by the degree of metastable retention of lower‐grade hydrates in otherwise identical protolith bulk compositions. The preservation of fine‐scale compositional layering that is inferred to be relict bedding in xenolith cores implies that melt loss by compaction was extremely efficient.     

THERMODYNAMIC PROPERTIES AND ROLE OF THERMALS IN THE STRATUS-TOPPED BOUNDARY LAYER

From results of two large-eddy simulation of stratus-topped boundary layer,the structure,thermodynamic prop-erties and role of thermals are investigated by using conditional sampling methods,which divided the thermals into thewarm/moist,cool/dry,warm/dry and cool/moist events.The results show that the main turbulent circulation in thestratus-topped boundary layer is composed of the warm/moist updraft and cool/dry downdraft.Below entrainmentregion,the warm/moist updrafts and cool/dry downdrafts are,respectively,positively and negatively buoyant andcontribute most to total fluxes and variances.Evaporative cooling has important effect on the structure and thermodynamic properties of thermals instratus-topped boundary layer.     

链烷烃的热力学性质与分子拓扑指数的关系

定义了一种新的连接性指数^1Y=Σk1/m^2 n^2,研究了链烷烃的标准生成焓、标准熵、标准生成吉布斯自由能等三个热力学性质与碳原子个数N，^1Y之间的定量关系，相关系数为优，其计算值与实验值较为接近，对未参与回归的正癸烷的60个异构体的三个热力学性质进行了计算，计算值与实验值较一致。