原料油汽化特性对催化裂化反应结焦过程影响的CFD模拟

为考察原料油汽化特性影响,在一套百万吨级工业FCC提升管中,基于多相欧拉模型耦合EMMS曳力和传质、油滴汽化和十二集总反应动力学模型,采用三维CFD模拟研究气液固三相流动、汽化、反应、结焦的复杂过程,新开发结焦预测模型定量预测结焦状况,对比研究不同原料油雾化液滴粒径和起始汽化温度下各相和反应组分浓度场、温度场分布和结焦程度。结果表明,模拟方法可较准确预测汽化、反应生焦和结焦过程,不同雾化液滴粒径和起始汽化温度通过流场分布和汽化快慢影响液相油滴汽化率和反应转化率;合适液滴粒径(60 μm)和起始汽化温度(654 K)可提升轻油、汽油、液化石油气目标产品收率并改善结焦程度。     

Finite Element Methods for a System of Dispersive Equations

The present study is concerned with the numerical approximation of periodic solutions of systems of Korteweg–de Vries type, coupled through their nonlinear terms. We construct, analyze and numerically validate two types of schemes that differ in their treatment of the third derivatives appearing in the system. One approach preserves a certain important invariant of the system, up to round-off error, while the other, somewhat more standard method introduces a measure of dissipation. For both methods, we prove convergence of a semi-discrete approximation and highlight differences in the basic assumptions required for each. Numerical experiments are also conducted with the aim of ascertaining the accuracy of the two schemes when integrations are made over long time intervals.     

Simflowny: A general-purpose platform for the management of physical models and simulation problems

Simflowny is a software platform which aims to formalize the main elements of a simulation flow. It allows users to manage (i) formal representations of physical models based on Initial Value Problems (hyperbolic, parabolic and mixed-type partial differential equations), (ii) simulation problems based on such models, and (iii) discretization schemes to translate the problem to a finite mesh. Additionally, Simflowny generates automatically code for general-purpose simulation frameworks. This paper first presents an introductory example of such problems. Then, formal representations are explained. Afterwards, it summarizes the platform’s architecture. Finally, validation results are provided.     

An Analysis of Public Clouds Elasticity in the Execution of Scientific Applications: a Survey

Elasticity can be seen as the ability of a system to increase or decrease the computing resources allocated in a dynamic and on demand way. It is an important feature provided by cloud computing, that has been widely used in web applications and is also gaining attention in the scientific community. Considering the possibilities of using elasticity in this context, a question arises: “Are the available public cloud solutions suitable to provide elasticity to scientific applications?” To answer the question, in a first moment we present a survey on the use of cloud computing in scientific scenarios, providing an overview of the subject. Next, we describe the elasticity mechanisms offered by major public cloud providers and analyzes the limitations of the solutions in providing elasticity for scientific applications. As the main contribution of the article, we also present an analysis over some initiatives that are being developed to overcome the current challenges. In our opinion, current computational clouds are developing rapidly but have not yet reached the necessary maturity level to meet all scientific applications elasticity requirements. We expect that in the coming years the efforts being taken by numerous researchers in this area identify and address these challenges and lead to better and more mature technologies that will improve cloud computing practices.     

Effect of water inclusions on charge transport and polarization inporous media

Wideband dielectric spectroscopy measurements (100 Hz to 10 GHz) were carried out on different microporous systems (including sintered glass filters, sandstone and carbonate rocks) saturated with brine (electrolytic water solution) and a hydrocarbon oil at different relative fractions. Three main contributions were singled out in the dielectric spectra: low frequency dispersion (LFD) effects (<100 kHz) related to long range ionic transport and dependent on the connectivity of the water phase; Maxwell-Wagner-Sillars (MWS) polarization effects (100 kHz to 1 GHz), essentially controlled by the shape of the water inclusions; and high-frequency effects (>1 GHz) due to short-range ion transport and related to specific pore surface. For each analyzed system, oil-wet (o-W) and water-wet (w-w) samples were obtained by chemical treatment of the pore surfaces. Systematic differences were observed in the electrical response on varying wettability (and so the respective distribution of the fluids in the pore space). Parameters such as the loss tangent value, the strength and the exponent of the LFD power law, as well as the characteristic time and strength of the MWS relaxation were good indicators of wettability. Results were discussed by using some standard models that account for the pore wettability effects on dielectric spectra. A new method for wettability determination of reservoir rocks from both laboratory and borehole electric measurements was presented     

Failure analysis of a blower fan at a petrochemical plant

The catastrophic failure of the main blower of a petroquimical plant boiler is discussed. The preliminary analysis of all the damage suffered by the machine indicated that the rotor was subject to strong unbalanced forces due to the breakage of one or more blades. Root Cause Analysis (RCA) was employed to determine the events responsible for failure. It could be established the bearing box nearest to the gearbox was damaged first, and the consequent displacement that was transmitted through the coupling, tore the gearbox out of its base. The reconstruction and analysis of the deformations of the analyzed parts allowed identifying the initiation of the fracture at the cone rotor. Manufacture defects contributed to the occurrence of the failure due to an excess rotating speed overload.     

FCC反应过程的CFD模拟进展

流化催化裂化（fluid catalytic cracking,FCC）工艺是石油炼制中的重要转化工艺,用于生产汽油、柴油、轻质烯烃等重要化工原料。FCC反应过程的CFD模拟有助于理解FCC反应器中流动和反应行为,辅助设计和优化FCC工艺设备,最终指导工业生产和实现虚拟调控和放大。从与FCC反应模拟相关的多相流动模型、反应动力学模型以及流动与反应之间耦合等方面做了回顾和总结。在流动与反应耦合研究方面,从湍流模型的使用、流动结构的影响、精细化模型的发展以及原油汽化模型的重要性这4个角度做了分析比较及总结。基于已有的研究工作,认为虽然很多研究表明CFD模拟能较好地揭示工业FCC提升管反应器内的流动和反应行为,但缺乏采用同一方法实现从小试到工业反应器模拟放大的实例,从侧面反映了当前的FCC理论模型和模拟技术还远未达到可以代替实验的水平。展望未来的FCC反应模拟,建议从模型精细度和计算效率上加强研发,并在此两方面寻求平衡,最终实现虚拟调控。     

烯烃催化裂解反应器局部颗粒堆积结构的颗粒解析模拟

烯烃催化裂解固定床工艺中的反应过程对压力敏感,深入研究催化剂堆积颗粒结构中的流动及压力分布对优化固定床结构及操作参数有重要意义。颗粒解析模拟方法广泛用于固定床内堆积结构的模拟,可以准确描述堆积结构中的流体力学行为,但对于复杂堆积结构网格生成困难。采用基于多孔介质模型的浸入边界法(PMM-IBM)结合网格自适应,实现了对固定床堆积结构的颗粒解析模拟,既解决了网格划分困难的问题,又节省了计算资源。采用网格自适应技术后,与均匀网格相比,堆积结构的网格总数减少大约80%。通过与贴体网格法的单颗粒表面受力分析对比,确定了此浸入边界法的关键模拟参数。随后模拟预测了三种床层与颗粒直径比值条件下堆积结构的空隙率及其内部的压力及流动分布。研究表明,堆积结构空隙中的局部轴向速度的最大值可以达到入口速度的10倍以上,轴向平均速度的径向分布与轴向平均空隙率分布一致,均成震荡衰减趋势。除此之外,预测的床层压降与Reichelt经验关联式结果较为吻合。在此基础上,耦合单颗粒内扩散和烯烃裂解的主反应,预测了反应物随孔径和孔隙率的变化,为进一步考虑外流场的变化奠定了方法基础。     

流态化模拟:基于介尺度结构的多尺度CFD

介尺度结构是研究气固流态化多尺度行为的关键。传统的基于平均化处理方式的双流体模拟不能准确描述流化床中的多尺度流动和传递行为。相较而言,基于能量最小多尺度(EMMS)方法的结构多流体模型(SFM)基于局部空间(网格)内的非均匀介尺度结构流动特征,其宏观预测结果与网格分辨率基本无关,因而可以大幅降低模拟计算量。基于SFM模拟得到的流动结构,EMMS多尺度传质模型进一步成功解释了传统传质文献中的数据差异。集成上述模型,形成了一整套模拟流化床流动-传递-反应耦合过程的多尺度计算流体力学(CFD)方法,并将其应用于预测循环流化床中典型的S型轴向分布、揭示噎塞转变的机理以及流化床放大困难的原因。多尺度CFD使工业规模循环床的三维、全系统、动态流动-反应耦合过程的准确模拟成为可能,并为实现从模拟向实时虚拟过程转变的目标打下基础。     

Failure analysis of a let-down valve at a petrochemical plant

The causes of recurrent failures of the stem of a cone valve in a 2100 bar internal pressure polymer reactor were analyzed. The valve generates fast but short drops of pressure within the reactor, as the stem is axially moved by a hydraulic control system. Most of the time the valve modulates pressure by positioning the stem at the 10% of its maximal displacement. Cracks in the quenched and tempered DIN 1.2343 valve stems propagated symmetrically from the outside, by alternative bending fatigue. Crack initiation was due to plastic deformation of the stem as supported against the cage, from a combined stress state caused by stem vibrations and fluid pressure. The plastic deformation and the failure mode point to flow induced vibrations on the stem. Modifications in valve design are proposed to diminish flow induced vibration in the stem.