Molecular simulation studies on natural gas hydrates nucleation and growth: A review

How natural gas hydrates nucleate and grow is a crucial scientific question. The research on it will help solve practical problems encountered in hydrate accumulation, development, and utilization of hydrate related technology. Due to its limitations on both spatial and temporal dimensions, experiment cannot fully explain this issue on a micro-scale. With the development of computer technology, molecular simulation has been widely used in the study of hydrate formation because it can observe the nucleation and growth process of hydrates at the molecular level. This review will assess the recent progresses in molecular dynamics simulation of hydrate nucleation and growth, as well as the enlightening significance of these developments in hydrate applications. At the same time, combined with the problems encountered in recent hydrate trial mining and applications, some potential directions for molecular simulation in the research of hydrate nucleation and growth are proposed, and the future of molecular simulation research on hydrate nucleation and growth is prospected.©2022 China Geology Editorial Office.     

几种碘化银焰剂成冰性能检测

碘化银焰剂是人工影响天气作业中重要的冷云催化剂,目前国内使用的碘化银焰剂有多种配方,有必要对它们的成冰性能进行统一评估。本研究采用1m^3等温云室,对我国人影作业中使用的7种碘化银焰剂(编号为1~7号)进行了统一检测。结果表明:7种焰剂成核率的量级按每克催化剂计算在10^(10)~10^(13)g^(-1)(-8^-18℃)之间,用指数函数拟合能较好地反映成核率随温度的变化;在低温段(≤-16℃),各焰剂成核率较高,不同焰剂之间的成核率差异相对于高温段(>-16℃)要小;在高温段,3、4、7号焰剂也具有较高的成核率,成冰性能要好于其他焰剂;7种焰剂的核化速率不同,-8℃时90%的冰核完成核化的时间在7.8~18min之间,推断该温度下的成核机制以接触核化等慢过程为主。     

三七炮弹的碘化银成核率检测

三七炮弹是进行人工增雨和防雹作业所需碘化银催化剂的主要载体之一,炮弹中碘化银催化剂的成核率数据是人工影响天气作业设计和指挥中进行催化剂作业剂量测算的重要参考,因此,对人工影响天气业务中使用的三七炮弹的碘化银成核率进行检测非常重要。2013年11—12月中国气象局人工影响天气中心利用新建的1200 L等温云室和钢板式20 m3专用爆炸室等设备,对目前人工影响天气业务中使用的两个厂家三七炮弹 (样品1、样品2) 的碘化银成核率进行国内首次统一检测。检测结果表明:两厂家炮弹成核率检测结果的拟合值量级均为109~1012/(g·AgI)(检测温度-6℃至-20℃),样品2成核率明显高于样品1。将本次检测结果与国内历次三七炮弹检测结果相比发现,两样品在负温高温段的成核率值均高于以往检测结果,其中,在具有指示意义的-10℃下的成核率,两样品均比以往检测结果要高2~3个量级。不同检测实验中成核率检测结果存在较大差异的现状说明,采用同一平台开展成核率统一检测十分必要。     

Frictional properties of simulated anhydrite-dolomite fault gouge and implications for seismogenic potential

The frictional properties of anhydrite-dolomite fault gouges, and the effects of CO₂ upon them, are of key importance in assessing the risks associated with CO₂ storage in reservoir formations capped by anhydrite-dolomite sequences, and in understanding seismicity occurring in such formations (such as the Italian Apennines). Therefore, we performed velocity-stepping direct-shear experiments on simulated dolomite, anhydrite and 50:50 anhydrite/dolomite gouges, at representative in-situ conditions (120 °C and σ_n^e = 25 MPa). They were conducted under vacuum, or else using water or CO₂-saturated water as pore fluid (P_f = 15 MPa). Friction coefficients varied between 0.55 and 0.7. All dry samples exhibited velocity-weakening behavior, whereas all wet samples exhibited velocity-strengthening behavior, without or with CO₂. This is consistent with trends previously reported for such gouges. A compilation of literature data shows that the transition from velocity-strengthening to velocity-weakening occurs in these materials between 80 and 120 °C when dry, and between 100 and 150 °C when wet. This implies little seismogenic potential for wet dolomite, anhydrite and mixed gouges under CO₂ storage conditions at 2–4 km depth. Seismic slip in the Italian Apennines at depths of ∼6 km and beyond may be explained by the velocity-weakening behavior expected in anhydrite and especially dolomite at temperatures above 150 °C.     

多组分有机质作用下碳酸钙的矿化现象

采用SEM、XRD、FT-IR等手段对氨基酸、多糖以及有机酸混合体系中形成的碳酸钙晶体进行了表征,进而比较了多组分有机质作用下碳酸钙的矿化现象。结果表明,氨基酸-单糖体系(A-M)促进了碳酸钙的沉积,其钙化速率相较于对照组提高了36%;有机酸则抑制了碳酸钙的沉积,单糖-有机酸体系(M-O)、氨基酸-有机酸体系(A-O)和氨基酸-有机酸-单糖体系(A-O-M)的钙化速率分别下降了33%、29%、17%。其次,A-M体系合成的晶体以方解石为主,包含少量的球霰石,M-O、A-O和A-O-M体系则在柠檬酸的调控下合成了方解石。最后,A-M体系合成了块状晶体(粒径为10μm)及中空的环状晶体(粒径为5μm),而A-O和M-O体系合成了棒状晶体(长轴径5～15μm,短轴径3～5μm)。A-O-M体系存在含量最高的有机质,导致成核速率高于生长速率,因此合成的晶体呈粒状(粒径1～3μm)且发育不完整。研究揭示了多组分共存体系中的生物矿化现象,阐明了柠檬酸在多组分体系中对晶体成核及生长的主导调控作用,对研究黄龙高寒环境下的生物矿化机制具有重要意义。     

Numerical Simulation of Earthquake Nucleation Process and Seismic Precursors on Faults

To understand precursory phenomena before seismic fault sliP,this work focuses onearthquake nucleation process on a fault plane through numerical simulation.Rate and statedependent friction law with variable normal stress is employed in the analysis.The resultsshow that in the late stage of nucleation process:(1)The maximum slip velocity ismonotonically accelerating;(2)The slipping hot spot(where the slip rate is maximum)migrates spontaneously from a certain instant,and such migration is spatially continuous;(3)When the maximum velocity reaches a detectable order of magnitude(at least one orderof magnitude greater than the loading rate),the remaining time is 20 hours or longer,andthe temporal variation of slip velocity beyond this point may be used as a precursoryindicator;(4)The average slip velocity is related to the remaining time by a log-log linearrelation,which means that a similar relation between rate of microseismicity and remainingtime may also exist;(5)when normal stress variation is taken int     

安宁河断层地震成核条件研究——来自天然花岗岩断层泥摩擦实验的启示

安宁河断层历史上发生过多次强震,现存的地震空区反映了其断层中部近30年来的断层闭锁和应变积累情况,是潜在的大地震危险区.本研究采用断层带内的新鲜花岗岩断层泥样品,在水热条件下开展了摩擦滑动实验,以研究安宁河断层摩擦特性和地震成核条件.实验有效正应力200MPa,孔隙水压30 MPa,温度25～600℃,剪切滑移速率在1...     

水热条件下富层状硅酸盐矿物糜棱岩的摩擦特性实验研究

为探索断层岩石摩擦特性对于断层力学性质的影响,我们采集了龙门山汶茂断裂韧性剪切带中的富含层状硅酸盐矿物的糜棱岩样品进行了水热条件下摩擦滑动实验研究.实验在三轴压机之上完成,实验温度为100~600℃,有效正压力100MPa,孔隙水压分别为30MPa和130MPa.为获得摩擦滑动的稳定性参数(a-b),剪切滑移速率在1.22μm·s-1,0.244μm·s-1和0.0488μm·s-1之间切换.实验发现在200~500℃的温度范围内,摩擦系数随着温度的增加而显著增大(约0.56~0.72).在200~300℃范围内,随温度的升高糜棱岩的摩擦滑动表现出由稳定的速度强化向不稳定速度弱化转变的趋势.在有效正压力不变的情况下,孔隙水压的增大会促进糜棱岩的摩擦滑动在500~600℃温度范围内由不稳定的速度弱化向稳定的速度强化的转变.实验给出的断层在原地深度处的脆性和塑性变形机制的转变,有助于理解断层深部的地震成核机制以及成核的温压条件.     

与地震预测有关的关键物理问题

本文介绍与当前地震预测/预报研究密切相关的若干关键物理问题,它们包括断层带结构、应力变化问题、统一考虑"静地震"、"慢地震"、蠕变与天然地震的宏观地震行为、地震的"成核"以及地震作为复杂系统的性质等问题的研究进展以及相关研究面临的机遇与挑战。未来通过对相关物理问题开展有针对性的观测、实验室实验和理论研究将极大地促进中国地震科学基础研究和地震预报的进一步发展。     

Numerical simulation of diffusion‐controlled nucleation and growth of porphyroblasts

This article presents the conceptual basis for a new numerical model of diffusion‐controlled nucleation and growth of porphyroblasts, describes its implementation, and illustrates the range of crystallization behaviours encompassed by it. The model differs from previous efforts principally in its ability to track explicitly the evolution in time and space of the chemical affinity for reaction in the intergranular medium, which provides a more accurate characterization of nucleation suppression in the vicinity of pre‐existing crystals and of growth suppression due to competition for nutrients among neighbouring crystals. Critical new features of these numerical simulations include: maintenance of local equilibrium for fluid in contact with reactants or products; persistence of reactants until they are eliminated by dissolution due to reaction progress and local diffusive flux; nucleation rates that vary as the local reaction affinity evolves; complex initial distributions of reactants if desired; and the flexibility to encompass any porphyroblast‐forming reaction for which changes in free energy as a function of time and temperature are specified. Model results reveal that radial growth rates remain proportional to the square‐root of time in diffusion systems buffered by persistent reactants; they document the interchangeable effects of diffusivity, porosity, and solubility on material fluxes and thus growth rates; and they illustrate the offsetting textural effects of rates of diffusion, nucleation, and heating. The initial distribution of reactants is found to exert a first‐order effect on crystal size distributions, confirming their limited utility for diagnosing crystallization mechanisms. These numerical simulations yield novel and rigorous confirmation of the textural effects of nucleation‐site saturation and variation in interconnected porosity, and reproduce with high fidelity much of the textural and chemical information gathered from natural specimens.