Reasons for breaking of chemical bonds of gas molecules during movement of explosion products in cracks formed in rock mass

The purpose of this study was to develop a physico-mathematical model and technique for estimation of chemical bond stability depending on electric field intensity of an external point charge. A hypothesis for a possible physico-chemical mechanism of the formation of additional harmful gases in the rock destruction by blasting was proposed. The theoretical basis of the hypothesis is the method of theretical evaluation of bond energy depending on the distance to a point charge, the third Coulomb centre. The quantum-mechanical model for calculating the electronic terms of molecules makes it possible to solve problems associated with the determination of parameters of molecules under the action of various physical fields on the system under consideration. The model was approved for some diatomic molecules. The discrepancy between the experimental data and calculated data did not exceed 14%, which proves accuracy of the obtained results. The model can be used in the field of research into the causes of gas-dynamic phenomena in underground coal mines, in studies of the degree of stability of nanostructured components of coal under physical influences, and in the theoretical design of new compounds and structures in the field of nanomaterial science and nanotechnology.     

Formation and properties of high entropy oxides in Co-Cr-Fe-Mg-Mn-Ni-O system: Novel (Cr,Fe,Mg,Mn,Ni)3O4 and (Co,Cr,Fe,Mg,Mn)3O4 high entropy spinels

Possibility of formation of quinary and senary equimolar high entropy oxides from the Co-Cr-Fe-Mg-Mn-Ni-O system is presented. Different proposed compositions are synthesized using the solid-state reaction route at high temperatures (900−1100 °C) and quenched to room temperature. Phase composition of the samples is studied, showing tendency toward formation of two main phases: rock salt-structured Fm-3 m and spinel-structured Fd-3 m. It is documented that the annealing temperature has a profound effect on stability of both structures, and at 1100 °C usually the highest content of Fm-3 m phase is usually observed. Three different oxides, namely, (Co,Cr,Fe,Mn,Ni)₃O₄, (Co,Cr,Fe,Mg,Mn)₃O₄ and (Cr,Fe,Mg,Mn,Ni)₃O₄ are obtained as single-phase materials, which structure can be described as the high entropy Fd-3 m spinel one. The latter two compounds have not been previously reported in the literature. Activated character of the electrical conductivity dependence on temperature is observed, with relatively high total conductivity at high temperatures and corresponding high absolute values of Seebeck coefficient.     

机械-射流破岩耦合特性研究

在现代旋转钻井破碎井底岩石中仍是以机械破岩为主，理论与实践证明，射流辅助破岩是提高钻井破岩效率的重要途径，但它们的耦合特性研究极少。文章基于渗流场与应力场的耦合理论分析，进行了机械与射流破岩耦合特性的实验研究。结果表明：射流压力和水楔作用对岩石渗流场、应力场具有重要作用，耦合作用比非耦合作用的破岩效率有较大幅度的提高。在实验条件下，砂岩的耦合作用提高破岩效率40％左右，灰岩的耦合作用提高破岩效率20％左右。     

涡轮搅拌桨反应器混合过程的数值计算

利用CFD方法计算单层涡轮反应器搅拌槽内流体混合过程的速度场和浓度场,研究物料在搅拌槽内的混合过程,以及不同监测点对混合时间的影响。结果表明,搅拌槽内物料的混合主要受槽内流体的流动形式所影响;混合时间的长短与监测点位置有关;在搅拌桨的桨叶附近进行监测所得到的混合时间较短,在液面附近进行监测所得的混合时间较长。在实际生产和试验中,应注意对监测点位置的选取。     

细节决定采输卤的成败

通过认真学习《细节决定成败》，结合井矿盐开采的实际，分别以生产过程中的三个细节为主，讨论了在采输卤生产技术控制中的细节的重要性。     

H-bond and conformations of donors and acceptors in model polyether based polyurethanes

The molecular mechanics (MM) method with COMPASS force field was used to study the H-bonds in the polyether based polyurethane model molecules. Availability of the calculation was firstly verified in comparison of some H-bonded model molecules, which were studied by using ab initio calculation, and those calculated by MM. Based on a urethane model molecule 1,3-dimethylcarbamate, which can be donor or acceptor and behaves in various conformations, it is reasonable to have a large number of H-bond interactions between various conformational donors and acceptors. For examining all the possible interaction patterns, we studied 57H-bond complexes. This systematic modeling covers well-known four types of interaction patterns, such as NH?OC (Type I), NH?O-CO (Type II), NH?NH (Type III), NH?COC (Type IV) in the system. Obtained H-bond energies were used to analyze the probabilities of the complexes. For the interaction within the hard segments, or Type I, Type II and Type III, a predominant H-bond complex has been found in the present study, which belongs to Type I. For the interaction between the hard segment and the soft segment, two conformations of Type IV were calculated to be existed.     

在经典极限下量子斯特林制冷机的优化

经济利润率是评价一个实际热力装置的主要指标之一。将有限时间热力学，非平衡量子统计理论和yong经济学相结合，导出了量子斯特林制冷机的最大利润率以及对应的性能界限，其结果与实际斯特林制冷机的优化设计和模型评估提供了一个最佳的预选方案。     

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文中建立了套管、水泥环和地层互作用的弹塑性的有限元力学模型，用MSC.Marc软件的高度非线性功能对本文的复杂力学系统进行了一系列的计算机仿真模拟研究，为复杂地层套管破坏机理研究提供了简便，可行的方法。本方法可以反推地层载荷，为复杂地层套管破坏的预防措施提供了理论依据。     

20世纪的泥沙运动力学

在20世纪，泥沙运动力学的研究取得了不少突出的成绩，但与其他学科同时期的进展相比，发展还是比较缓慢的。按取得的进展来看，20世纪可分为两个阶段；在上半叶，有6项突破性进展，逐步积累，到1950年，Einstein集大成，提出了第1 个泥沙运动力学理论体系。在下半叶，进入了百家争鸣的时代，一些研究者提出了自己的泥沙运动理论体系，作者列举了8个有代表性的理论体系。受计算机时代的影响，从20世纪70年 代开始出现了根据大量实测资料，利用计算机进行回归分析而得出的阻力和输沙率公式，而不拘泥于发展新的理论。与此同时，一些与实际偏离较远的理论逐渐被淘汰。在21世纪，要搜集系统完整的资料，特别是近底层的资料，并拓宽研究领域到环境，生态等学科。     

深层搅拌水泥桩复合地基在工程中的应用

简要介绍了深层搅拌水泥桩的加固机理和适用条件。详细阐述了深层搅拌水泥桩的加固设计，其内容包括布桩形式，单桩竖向承载力及复合地基承载力的确定以及下卧层与沉降变形的验算。指出了施工中应注意的事项和应通过的质量检验项目，并通过工程实例进行了验证。