陕北沙漠区浅埋厚煤层开采潜水位及生态响应

煤炭开采造成上覆岩层破裂、移动，破坏了矿区含（隔）水层结构，改变了地表水及地下水循环演化状态，对浅表层生态环境造成严重影响，引发一系列环境地质问题。为深入研究沙漠地区厚煤层开采给潜水位及生态环境造成的影响，以毛乌素沙漠金鸡滩矿为例，对水文地质条件进行了研究，采用数值模拟的方法，模拟了沙漠区厚煤层开采潜水位的变化，并通过采动潜水位监测数据验证了预测结果。调查分析了研究区及周边地表生态环境现状，预测采后潜水位基本满足植物生长需求，对生态环境影响不大。     

颗粒负荷对小型旋风器性能影响的模拟分析

为探究颗粒负荷对小型旋风器内气固两相流动的影响，基于雷诺应力模型（RSM）和欧拉-欧拉方法的混合流模型（Mixture）进行气体-颗粒、颗粒-颗粒的相间耦合计算。采用粒径为0.5～5μm的颗粒组在40L/min、60L/min和80L/min的入口流量下模拟0~3kg/m³的5种不同颗粒浓度工况，通过对比旋风器内纯气相流场和颗粒负荷流场的不同，研究了颗粒的存在对流场的影响；探究了入口流量和浓度变化对旋风器内分离效率和压降特性的影响。基于模型有效性验证的数值模拟结果表明：较高颗粒浓度负荷使旋风器内的气相流场发生显著变化。随着入口流量的增大，旋风器的分离效率先增大后减小，压降呈非线性增大。随着颗粒浓度的增大，旋风器的分离效率逐渐增大，压降先减小后增大。     

干湿联合冷却塔冷却节水分析软件开发及应用

为实现对干湿联合冷却塔冷却特性、节水特性的综合分析，编制干湿联合冷却塔校核计算流程，基于Visual Studio开发平台，本文开发了干湿联合冷却塔冷却节水特性分析优化软件。通过对某在运干湿联合冷却塔进行冷却节水特性计算，验证了所开发软件计算结果的准确性；在消雾节水计算结果基础上，对标干湿联合消雾冷却塔验收测试规程，生成其成雾频率曲线、耗水量曲线、塔雾指数、冷却特性曲线，综合分析其消雾特性、节水特性及冷却特性，从而确定了干湿联合冷却塔的最佳运行工况。同时运用所开发软件对比分析了某冷却塔设计干段散热面积对其消雾特性、节水特性及冷却特性的耦合影响，并分析了百叶窗开度对干湿联合冷却塔性能的影响，为干湿联合冷却塔的运行优化和设计优化提供了工具性软件支持。     

Quantitative structure-properties relationship,molecular dynamic simulations and designs of some novel lubricant additives

Quantitative structure-properties relationship (QSPR) method was used to design some novel antioxidant lubricant additives, while molecular dynamics simulations were used to calculate their dynamic binding energies on steel and to hydrogen-containing DLC (a-C: H) crystal surfaces. 29 synthesized antioxidant lubricant additives were collected from literature and geometrically optimized by Spartan’14 version 1.1.2 software while Genetic Function Algorithm (GFA) method of the material studio version 8.0 software was used to build the predictive QSPR model. Four novel antioxidant lubricant additives were successfully designed out of which E)-3-(4-((3-amino-4-methylphenyl)diazenyl)-5-hydroxy-4H-pyrazol-3-yl)-2-argio-6,7-difluoroquinazolin-4(3H)-one with excellent property of 3.531295 (KOH/g) was found to be better than the one reported by other researchers. The dynamic binding energy results revealed that one of the designed additives was excellently bound to steel (?1120.11 kcal/mol) and to hydrogen-containing DLC (a-C: H) crystals surface (7814.156 kcal/mol) surfaces than its co-additives. This investigation shows that the entire studied antioxidant lubricant additive was found to be better bound to the steel surface than hydrogen-containing DLC (a-C: H) crystals surface. This study will help in synthesizing novel anti-oxidant lubricant additives with better additive properties that will slow the tendency of oil to oxidize and will not possess a threat to the environment as the structures do not contain zinc and phosphorus that could limit the operation of the catalytic converter in the exhaust pipe.     

基于(火用)效率目标的环冷机余热回收系统操作参数优化

摘要：针对烧结环冷机余热回收利用率不高的难题，采用分析法建立了评价某钢铁厂烧结环冷机余热回收系统运行效率的效率模型。基于多孔介质模型、局部非热平衡方程、真实气体SRK方程建立环冷机内气固两相换热模型。通过CFD仿真模拟，探究料层高度、循环风机输入烟气温度、烧结矿底部入口风速三项可控环冷机运行工艺参数对系统效率的影响规律。结果表明，料层厚度在1～1.5 m区间每增加0.1 m，效率增加0.8%～1.1%；循环风温在100～140℃之间每增加10℃，效率增加1.4%～1.5%；烧结矿底部入口风速在0.9～1.9 m/s之间每增加0.1 m/s，效率降低0.18%～0.24%。在此基础上，基于工业运行数据建立效率正交试验优化模型，提高了该余热回收系统3.42%的效率。     

电阻层析成像技术及其在水合物开采模拟实验中的应用

电阻层析成像是一种可视化的无损测量手段,可以为天然气水合物开采过程室内模拟实验提供有效的监测途径。首先介绍了电阻层析成像技术的工作原理、发展历程与应用现状,重点对电阻层析成像技术在天然气水合物室内模拟实验方面的主要应用进行了综述,并分析了存在的问题,在此基础上给出了解决问题的建议,为下一步开展水合物的电阻层析成像实验提供参考。     

Use of Modelica language to simulate electrified railway lines and trains

Simulation of multi-engineering systems typically requires many issues to be solved, which are to be addressed by developing appropriate modeling and simulation programming techniques. In the last years, the authors have participated in several studies in which they analyzed in detail electrified railway systems and simulated them using Modelica language. After a few years of study, despite the huge complexity of these systems, it has appeared evident that Modelica language is very well suited and able to effectively solve the typical issues they present. While specific railway system simulations have already been discussed in specific papers, whose focus was on application and actual results, in this paper, the authors show how to use Modelica language to solve specific modeling issues through suitable programming techniques. Moreover, the issues to be solved and the conceived techniques may be interpreted in a general way and to be applied also in different engineering domains. Finally, this paper briefly recalls the principal results obtained in previous specific papers, in which these techniques were fully implemented.     

高供氧压力下高马赫数氧枪数值模拟

  以北方某钢厂100 t转炉为原型，建立顶吹转炉炉内流场的三维数学模型，采用Fluent软件研究了不同高马赫数氧气射流与熔池钢液速度流场分布之间的依赖关系。研究发现，高马赫数氧枪在Ma（马赫数）为2.0～2.3时，曲线平稳，为最佳供氧压力。在提高供氧压力的同时，氧气射流的最大速度、熔池钢液面的冲击直径及冲击深度也随之增加。模拟结果显示，氧气射流在设计工况氧压小于1.0 MPa时，射流之间相互干扰作用最弱；氧气射流在设计工况氧压力大于1.0 MPa后，冲击直径与冲击深度增幅较小。基于上述研究，在实际生产中应用了高马赫数氧枪后，并结合变枪变压操作工艺，可以改善熔池底部钢液流动状况、稳定转炉吹炼过程、控制炉渣喷溅。     

基于XML的信息物理融合系统组件建模与仿真

信息物理融合系统（CPS）涉及多种计算模型的集成和协同工作，针对CPS设计方法不统一、重塑性差、复杂度高、难以协同建模验证等问题，提出一种结构化、可描述行为的异元组件模型。首先，用统一组件建模方法进行建模，解决模型不开放问题；然后，用可扩展标记语言（XML）规范描述各类组件，解决不同计算模型描述语言不一致和不可扩展问题；最后，用多级开放组件模型的协同仿真验证方式进行仿真验证，解决验证的不可协同问题。通过通用组件建模方法、XML组件规范描述语言以及验证工具平台XModel对医用恒温箱进行了建模、描述和仿真。医用恒温箱的案例表明，这种模型驱动建立可重塑异元组件并确认其设计正确性的过程，支持信息物理协同设计和边构建边纠正，可避免在系统实现过程中发现问题时再进行反复修改。     

Modified embedded-atom method interatomic potential for the Mg–Zn–Ca ternary system

Mg–Zn–Ca alloys are representative Mg alloys with high formability at room temperature. Their high formability is thought to be related to slip, twinning, and recrystallization of the alloys, but the detailed mechanisms have not yet been clarified. To enable atomistic simulations for investigating those behaviors, an interatomic potential for the Mg–Zn–Ca ternary system was developed. The development was based on the second nearest-neighbor modified embedded-atom method formalism, combining previously developed Mg–Zn and Mg–Ca potentials with the newly developed Zn–Ca binary potential. The Zn–Ca and Mg–Zn–Ca potentials reproduce structural, elastic, and thermodynamic properties of compounds and solution phases of relevant alloy systems in reasonable agreement with experimental data, first-principles and CALPHAD calculations. The applicability of the developed potentials is demonstrated through calculations of the effects of Zn and Ca solutes on the generalized stacking fault energy for various slip systems, segregation energy on twin boundaries, and volumetric misfit strain.