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71.
Usman Abdulfatai Adamu Uzairu Sani Uba Gideon Adamu Shallangwa 《Egyptian Journal of Petroleum》2019,28(2):241-245
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. 相似文献
72.
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。 相似文献
73.
74.
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. 相似文献
75.
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。 相似文献
76.
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。 相似文献
77.
随着三维CAD技术的发展,产品制造信息在三维模型和二维图纸之间的反复传递,严重影响了产品制造信息的正确、快速传递。基于三维产品制造信息技术,以采煤机防爆盖板为例,在UG NX10.0中建立了防爆盖板的三维模型并进行了三维标注,设计了加工工艺路线,规划了数控加工刀具轨迹,进行了加工仿真,验证了数控加工的正确性,在此基础上完成了采煤机防爆盖板的三维工艺式设计。该研究对基于模型定义的数字化设计与制造研究,实现制造业信息化具有重要意义。 相似文献
78.
《Calphad》2019
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. 相似文献
79.
根据组织项目管理成熟度模型(OPM3),确定影响项目组合管理能力的OPM3要素,分析OPM3要素与项目组合管理能力的因果关系,构建系统动力学模型,仿真模拟OPM3要素对项目组合管理能力的影响。仿真结果表明:OPM3要素与项目组合管理能力正相关;OPM3要素对项目组合管理能力的影响在短期内并不显著;在OPM3要素中,对项目组合管理能力影响较为显著的是战略执行与规划、组织领导能力和信息分析。 相似文献
80.
Kosuke Sato Akihiko Kono Hiroaki Urushibata Yoji Fujita Masato Koyama 《Electrical Engineering in Japan》2019,208(3-4):48-63
The authors developed a physics‐based equivalent circuit model of a lithium‐ion battery (LIB) whose parameters are continually updated, reflecting the theoretical calculation results of the Butler‐Volmer equation, diffusion equations of the lithium‐ion and lithium, and Nernst equations of the liquid and solid phases. The developed model was applied to the charge/discharge simulations of an LIB, and the experimental and simulated results of constant current discharges and pulsed‐charge/discharge were found to be in excellent agreement. In particular, using the developed model, analyzing transient responses of the LIB derived from the transition of the electric double layer charging to the electrode reaction is possible. These results demonstrate that the electrochemical performance of an LIB can be calculated on a circuit simulator using the developed model. 相似文献