Atomistic simulation of the structure and elastic properties of pyrite (FeS2) as a function of pressure

Interatomic potential parameters have been derived at simulated temperatures of 0 K and 300 K to model pyrite FeS₂. The predicted pyrite structures are within 1% of those determined experimentally, while the calculated bulk modulus is within 7%. The model is also able to simulate the properties of marcasite, even though no data for this phase were included in the fitting procedure. There is almost no difference in results obtained for pyrite using the two potential sets; however, when used to model FeS₂ marcasite, the potential fitted at 0 K performs better. The potentials have also been used to study the high-pressure behaviour of pyrite up to 44 GPa. The calculated equation of state gives good agreement with experiment and shows that the Fe–S bonds shorten more rapidly that the S–S dimer bonds. The behaviour of marcasite at high pressure is found to be similar to that of pyrite.     

MODELING STUDY ON SEDIMENTATION CONFIGURATION IN FRONT OF THE DAM AND IN THE PRESSURE CONDUIT OF BOTTOM OUTLETS BY FLUME EXPERIMENT

I.INTRODUCTIONReseri,oirsonoverloadedriverswillreachthestateofrelativeequilibriumwithcontinuousdevelopmentofsedimentation.Insuchcase,thereisdePOsitinfrontofthedam.Thereforethesiltpressureonthedambodyisconsiderablylarge.Sedimentationelevationinfrontofthedamisoneofthefactorsofcalculatingthesiltpressure.Inaddition,tokeeplong-termworkingstorageinreservoif,itisnecessarytoinstallbottomoutlets.Asthereisapressureconduitinfrontoftheoperatinggateofthebottomoutlet,thesedimelltenteredtheconduitwill…     

Experimental research on reservoir sensitivity to stress and impacts on productivity in Kela 2 Gas Field

Kela 2 Gas Field, with high formation pressure (74.35MPa), high pressure coefficient (2.022) and difficulty of potential test and evaluation, is the largest integrated proved dry gas reservoir in China so far and the principal source for West-East Gas Development Project. In order to correctly evaluate the elastic-plastic deformation of rocks caused by the pressure decline during production, some researches, as the experiment on reservoir sensitivity to stress of gas filed with abnormal high pressure, are made. By testing the rock mechanic properties, porosities and permeabilities at different temperature and pressure of 342 core samples from 5 wells in this area, the variations of petro-physical properties at changing pressure are analyzed, and the applicable inspection relationship is concluded. The average productivity curve with the reservoir sensitivity to stress is plotted on the basis of the research, integrated with the field-wide productivity equation. The knowledge lays a foundation for the gas well productivity evaluation in the field and the gas field development plan, and provides effective techniques and measures for basic research on the development of similar gas fields.     

松辽盆地古龙凹陷青山口组生排烃扩张微米孔/缝的发现及其意义

笔者等通过电子背散射、二次成像和能谱分析,结合薄片和反射显微镜观察,发现松辽盆地古龙凹陷青山口组页岩中发育了大量由生排烃扩张形成的微米孔和微米缝。生排烃高压扩张微米孔的特点有：①一般只发育在超高压的页岩油储层中;②一般只发育在黏土质长英页岩中,纯黏土岩少见;③多为近圆形或半圆形,直径多在0. 5 μm到数微米,一般1~2 μm,最大可达8 μm;④孔缘一般为以绿泥石为主的黏土,形成不连续的圈环;圈环上缘的黏土多呈弧形或眉状,绿泥石化明显,在背散射图像中呈亮色;⑤孔内多有自生的纳米级葡萄状或豆渣状黏土,是构成封存油气的物质基础;⑥生排烃高压扩张微米孔可以组合成4种类型：即垂向联结成垂直的排烃烟囱型、垂向联结成倾斜的排烃烟囱型、水平联结成顺层的排烃管型和竖面上联结成更大的片状大孔型。排烃烟囱直或微曲,直立或倾斜;宽1~3 μm,最宽可达200 μm;高十几到30 μm,最大可达1500 μm;顶部多与顺层微米缝（或毫米缝）联结,是排烃烟囱的最终泄压和泄油气的总库;生排烃扩张微米孔孔隙度变化大,面孔率一般在5%~6%,局部面孔率最高可达39. 66%。生排烃高压扩张微米缝的特点有：①一般只发育在超高压的页岩油储层中;②一般只发育在黏土质长英页岩中,纯黏土岩少见;③多以顺页理为主的微米缝为主;④略曲的张性缝,多呈锯齿状,绕过刚性矿物;⑤宽度多在0. 5 μm到数十微米;最宽可达150 μm;⑥多与黄铁矿、白云石、磷灰石等自生矿物伴生;⑦多与生排烃扩张微米孔和排烃烟囱相连。生排烃扩张微米孔缝的形成动力主要有两种：一种是烃类流体的高压扩张力;第二种是烃类流体的化学溶蚀力。笔者等计算了形成这种生排烃微米孔和微米缝的压力,形成生排烃扩张微米孔从1500 m的44. 74 MPa到2500 m深的74. 81 MPa;形成生排烃扩张微米缝的排烃压力稍大,在相同深度比形成生排烃扩张微米孔大3 MPa。生排烃扩张微米孔缝与其他孔缝相连构成了一个储运网络,使储层的储集能力和渗透性大幅增加,是可动用储量的主要贡献者,为古龙页岩油的开发创造了有利条件。生排烃扩张微米孔缝的发现对于古龙页岩油的勘探开发具有重要意义,同时对于页岩油储层的研究具有启发作用。     

Experimental study on pore water pressure dissipation of mucky soil

Pore water pressure has an important influence on mechanical properties of soil. The authors studied the characteristics of pore water pressure dissipating of mucky soil under consolidated-drained condition by using refitted triaxial instrument and analyzed the variation of pore pressure coefficient with consolidation pressure. The results show that the dissipating of pore water pressure behaves in different ways depends on different styles of loading. What is more, the pore water pressure coefficient of mucky soil is less than 1. As the compactness of soil increases and moisture content reduces, the value of B reduces. There is a staggered dissipating in the process of consolidation, in which it is a mutate point when U/P is 80%. It is helpful to establish the pore water pressure model and study the strength-deformation of soil in process of consolidation.     

轻放工作面坚硬顶板初次放顶矿压研究

针对柴里煤矿374①综放工作面坚硬顶板初次放顶难的问题,采取了强制放顶措施,同时进行矿压观测,了解初次放顶过程中矿压显现规律,采取有效安全措施,减少初次放顶带来的危害。     

The pressure dependence of the zirconium-in-rutile thermometer

The solubility of ZrO₂ in rutile is strongly temperature-dependent and has been identified as a potentially powerful thermometer when the rutile coexists with an appropriate buffer assemblage, e.g. zircon + quartz. In combination with experimental data at 10 kbar, previous consideration of data on natural rutile has not identified a pressure dependence for the thermometer. However, the expected volume change as a result of substitution of the larger Zr⁴⁺ cation for Ti⁴⁺ suggests that the Zr content of rutile should decrease with increasing pressure. To investigate the pressure dependence of the thermometer, piston cylinder (at 10, 20 & 30 kbar) and 1 atm furnace experiments were performed in the system ZrO₂-TiO₂-SiO₂. The solubility of ZrO₂ in rutile, in the presence of zircon and quartz was reversed at each pressure value. From these experiments, the thermodynamics of the end-member reaction ZrSiO₄ = SiO₂ + ZrO₂ (in rutile) have been determined. There is a secondary pressure effect accompanying the primary temperature dependence of the Zr content of rutile. New thermometer equations are, in the α -quartz field: in the β -quartz field and in the coesite field in which φ is ppm Zr, P is in kbar and R is the gas constant, 0.0083144 kJ K⁻¹. Thermometric results using these equations are shown for a range of geological settings.     

某核反应堆预选区含水介质渗透性变化特征

在简要介绍预选区水文地质条件基础上,主要通过压水试验、抽水试验等水文地质试验得出各种水文地质参数从而分析预选区含水介质渗透性变化特征以及地层渗透性变化规律。     

Raman spectroscopic study of K-lingunite at various pressures and temperatures

K-lingunite is a high-pressure modification of K-feldspar that possesses the tetragonal hollandite structure. Variations of the Raman spectra of K-lingunite were studied up to ~31.5 GPa at room temperature, and in the range 79–823 K at atmospheric pressure. The Raman frequencies of all bands were observed to increase with increasing pressure, and decrease with increasing temperature for K-lingunite. This behavior is in line with those observed for most of other materials. New sharp Raman bands appear at pressures greater than 13–15 GPa, suggesting a phase transition in K-lingunite with increasing pressure. The transition is reversible when pressure was released. The appearance of these new Raman bands may correspond to the phase transition revealed earlier at around 20 GPa by X-ray diffraction studies. Instead of transforming back to its stable minerals, such as orthoclase, microcline or sanidine, K-lingunite became amorphous in the temperature range 803–823 K at atmospheric pressure.