Neural network-based hybrid models developed for free radical polymerization of styrene

In the present work, the free radical polymerization of styrene is modeled by considering the phenomenology of the process (a simplified model, which does not include the diffusional effects, gel, and glass effects) in combination with an empirical model represented by an artificial neural network. Differential evolution (DE) algorithm, belonging to the class of evolutionary algorithms, is applied for developing the neural models in optimal forms. For improving the results—predicted conversion and molecular weights as function of time, temperature, and initiator concentration—different combinations between phenomenological model and neural network are tested; also, individual and stacked neural networks have been developed for the polymerization process. This methodology based on hybrid models, including neural networks aggregated in stacks, provides accurate results.     

基于Matlab的量子激光雷达稳频通信模拟系统设计

传统通信模拟系统设计较为复杂,导致模拟过程消耗能量较大,不能准确模拟稳频通信质量。因此,提出基于Matlab的量子激光雷达稳频通信模拟系统。由于振荡器是雷达形成初始信号源的基础,通过分析振荡电路与相位噪声,获得相位噪声函数与通信频率存在的关系;为确保通信过程的稳定,将准确性与稳定性作为信号质量的评价指标,并采用锁频环稳频技术计算频率偏移程度,根据PID控制算法控制频率,量子激光雷达稳频通信;利用Matlab确定激光器、探测器等硬件组成结构,通过时序与数字阵列的设置完成模拟系统设计。仿真结果表明所提系统结构简便、性能稳定,能够真实模拟出稳频通信的信号质量。     

Effects of structural parameters on water film properties of transpiring wall reactor

Corrosion and salt deposition problems severely restrict the industrialization of supercritical water oxidation. Transpiring wall reactor can effectively weaken these two problems by a protective water film. In this work, methanol was selected as organic matter, and the influences of vital structural parameters on water film properties and organic matter removal were studied via numerical simulation. The results indicate that higher than 99% of methanol conversion could be obtained and hardly affected by transpiration water layer, transpiring wall porosity and inner diameter. Increasing layer and porosity reduced reactor center temperature, but inner diameter's influence was lower relatively. Water film temperature reduced but coverage rate raised as layer, porosity, and inner diameter increased. Notably, the whole reactor was in supercritical state and coverage rate was only approximately 85% in the case of one layer. Increasing reactor length affected slightly the volume of the upper supercritical zone but enlarged the subcritical zone.     

Influence of thermal runaway in styrene–acrylonitrile bulk copolymerization revealed by computational fluid dynamics modeling

The computational fluid dynamics (CFD) and kinetic-based moment methods coupled approach is adopted to simulate the bulk copolymerization of styrene–acrylonitrile (SAN) in a stirred tank reactor. Numerical simulations are carried out to investigate the impacts of impeller speed, monomer ratio, initiator ratio, and initial reaction temperature on the copolymerization process and product properties. Particularly, the Chaos theory is selected as a criterion for evaluating the occurrence of the thermal runaway. The Flory's and Stockmayer's distributions are employed to calculate chain length distribution and copolymer composition distribution of copolymer. The simulation results highlight that the appearance of thermal runaway can be postponed by properly increasing the rotation speed, decreasing the initiator loadings, initial acrylonitrile contents and initial reactor temperature. Furthermore, significant differences exist in the product properties that predicted by the ideal and non-ideal models, which demonstrates that the temperature heterogeneity plays a crucial role in SAN copolymerization. This study could offer references for the safe operation and design of polymerization processes.     

Computational modelling of water flow inside laboratory Knelson concentrator bowl

Enhanced gravity concentrators such as Knelson concentrator (KC) are extensively used in the mineral processing industry. The complexities of KC bowl geometry and variation of feed characteristics have forced process engineers to design empirically new units using laboratory and pilot-scale Knelson concentrators. However, numerical modelling methods such as computational fluid dynamics (CFD) and discrete element method (DEM) provide a better insight of flow behaviour of fluid and particulate solid phases inside these processing units. This article reports findings of CFD simulations for single-phase water flow inside the laboratory KC. An available standard 7.5-cm laboratory KC bowl was numerically simulated using realisable k-ε turbulence model to resolve the turbulence dispersion of existing transitional flow regime. The effects of relative centrifugal force (RCF) intensity and bed fluidisation water flow rate on the water velocity and pressure distributions were studied. Simulations confirmed the swirling flow pattern governing inside the bowl. The results revealed that the impact of RCF intensity on the water field values is greater than that of bed fluidisation water flow rate. Both velocity and pressure variations inside the bowl rings followed a linear trend.     

径向不耦合装药爆破效果的数值研究

为了研究径向不耦合条件下爆破效果的影响因素,利用AUTODYN-2D对比不耦合系数、不耦合介质、炸药种类对爆破效果的影响规律。结果表明,与耦合装药相比,径向不耦合装药条件下炮孔压力明显降低。对比水介质和空气介质下的爆破效果可知,水介质不耦合条件下,炸药爆炸能量的传递效率更高。炮孔压力与炸药种类密切相关,TNT产生的炮孔压力最大,但作用时间较短,而ANFO和乳化炸药的作用时间较长。     

气瓶内部淬火过程的流动换热特性

 大直径厚壁气瓶内部淬火时的流动换热过程极其复杂，受到多种因素的影响，而研究气瓶内部压强和温度的变化规律对改善流动换热效果、提高产品组织性能具有重要的理论指导意义。以914 mm厚壁气瓶和瓶内流体为研究对象，建立了二维等效流 固耦合模型；采用多喷嘴系统对气瓶内外进行喷水淬火，研究了气瓶总长、喷水流速及淬火时间对瓶内压强及内壁温度的影响，通过间歇淬火试验验证了数学模型的正确性。结果发现，气瓶长度对瓶内压强和瓶壁温度的影响显著，喷水流速次之，当喷水流速大于8 m/s后，水量对瓶壁的冷却效果大大降低；气瓶内壁长度方向的温度梯度分别随气瓶总长的增加和淬火时间的延长而减小，但基本不受喷水量的影响。     

Transport Map sampling with PGD model reduction for fast dynamical Bayesian data assimilation

The motivation of this work is to address real-time sequential inference of parameters with a full Bayesian formulation. First, the proper generalized decomposition (PGD) is used to reduce the computational evaluation of the posterior density in the online phase. Second, Transport Map sampling is used to build a deterministic coupling between a reference measure and the posterior measure. The determination of the transport maps involves the solution of a minimization problem. As the PGD model is quasi-analytical and under a variable separation form, the use of gradient and Hessian information speeds up the minimization algorithm. Eventually, uncertainty quantification on outputs of interest of the model can be easily performed due to the global feature of the PGD solution over all coordinate domains. Numerical examples highlight the performance of the method.     

Ab Initio Molecular-Dynamics Simulation Liquid and Amorphous Al_94-xNi₆La_x (x=3-9) Alloys

Ab initio molecular-dynamics simulations have been used to investigate the liquid and amorphous Al94-xNi6Lax (x=3-9) alloys. Through calculating the pair distribution functions and partial coordination numbers, the structure and properties of these alloys are researched, which will help the design bulk metallic glass. The concentration of La atoms can affect the short-range order of Al94-xNi6Lax alloys, which is also studied in this calculation result.