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Modeling and estimating kinetic parameters for CO2 methanation from fixed bed reactor experiments 固定床反应器实验中CO2甲烷化反应动力学参数的建模与估算
Pub Date : 2022-09-03 DOI: 10.1002/amp2.10145
Toshiki Tsuboi, Shoya Yasuda, Cheolyong Choi, Wei Zhang, Hiroshi Machida, Koyo Norinaga, Tomoyuki Yajima, Yoshiaki Kawajiri

CO2 methanation, which converts CO2 and hydrogen into methane as fuel, is one of the promising candidates for the development of CO2 utilization technologies. Recently, a highly active catalyst made of Ni/ZrO2 for methanation has been developed, and is currently investigated as a potential use in a high-performance reactor. However, design of reactor must be carried out carefully, since this reaction is highly exothermic, which may cause reactor runaway and deterioration of catalysts. For this problem, a mathematical model that can predict the behavior inside the reactor is necessary. In this work, we consider the methanation reaction of CO2 in a reactor model and estimate the kinetic parameters in the reaction rate model from experimental data. In the parameter estimation using literature values and Tikhonov regularization, eight kinetic parameters in the rate equations were identified from 64 data points with a wide range of conditions. We confirm that molar fractions at the reactor exit predicted by this reactor model are in good agreement with the experimental results. Furthermore, the developed model was validated to predict the compositions and temperature that were not used in the estimation. We expect the developed model will be a powerful tool for the reactor design.

二氧化碳甲烷化是将二氧化碳和氢气转化为甲烷作为燃料,是二氧化碳利用技术发展的一个有前途的候选技术。最近,一种由Ni/ZrO2制成的高活性甲烷化催化剂被开发出来,目前正在研究其在高性能反应器中的潜在用途。但是,反应器的设计必须仔细进行,因为该反应是高度放热的,可能导致反应器失控和催化剂劣化。对于这个问题,一个能够预测反应堆内部行为的数学模型是必要的。本文在反应器模型中考虑了CO2甲烷化反应,并根据实验数据估计了反应速率模型中的动力学参数。在采用文献值和Tikhonov正则化的参数估计中,从64个数据点中识别出了8个速率方程中的动力学参数。结果表明,该模型预测的反应器出口摩尔分数与实验结果吻合较好。此外,还验证了所建立的模型可以预测估算中未使用的成分和温度。我们期望所开发的模型将成为反应堆设计的有力工具。
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引用次数: 0
On the lower operation limit and the gain of flexibility of an innovative segmented tray column 一种新型分段塔板柱的操作下限和灵活性
Pub Date : 2022-08-14 DOI: 10.1002/amp2.10144
Henrik Fasel, Marcus Grünewald, Julia Riese

Operating windows of conventional tray columns may not be large enough to ensure a sufficient separation with the current or future challenges of a volatile energy and raw material supply. Therefore, an innovative, segmented separation tray has been developed, which enlarges the operation window and thus leads to a higher flexibility, managing the challenges of higher volatility in downstream processes. In this contribution, a hydrodynamic characterization and the resulting lower operation limits of this segmented tray are presented. Furthermore, an approach to obtain shorter start-up times for the column and a resulting faster response time to changes in the process are presented. The feasibility of this type of operation is evaluated by the investigation of the stability of the tray under new operation conditions.

传统托盘塔的操作窗口可能不够大,无法确保在当前或未来能源和原材料供应不稳定的挑战下进行充分的分离。因此,一种创新的分段分离托盘已经开发出来,它扩大了操作窗口,从而带来了更高的灵活性,管理下游工艺中更高波动性的挑战。在这一贡献,流体动力学表征和由此产生的较低的操作限制,这种分段托盘提出。此外,一种方法,以获得较短的启动时间的列和由此产生的更快的响应时间的变化,在过程中提出。通过对新操作条件下托盘稳定性的研究来评价这种操作的可行性。
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引用次数: 1
Sensor selection and tool wear prediction with data-driven models for precision machining 传感器选择和刀具磨损预测与数据驱动模型的精密加工
Pub Date : 2022-08-02 DOI: 10.1002/amp2.10143
Seulki Han, Qian Yang, Krishna R. Pattipati, George M. Bollas

Estimation of tool wear in precision machining is vital in the traditional subtractive machining industry to reduce processing cost, improve manufacturing efficiency and product quality. In this vein, fusion of time and frequency-domain features of commonly sensed signals can provide an early indication of tool wear and improve its prediction accuracy for prognostics and health management. This paper presents a data-driven methodology and a complete tool chain for the inference of precision machining tool wear from fused machine measurements, such as cutting force, power, audio and vibration signals, and quantify the usefulness of each measurement. Indicators of tool wear are extracted from time-domain signal statistics, frequency-domain analysis, and time-frequency domain analysis. Correlation coefficients between the extracted features (indicators) and the tool wear are used to select the most informative features. Principal Component Analysis and Partial Least-Squares are used to reduce the dimensionality of the feature space. Regression models, including linear regression, support vector regression, Decision tree regression, neural network regression and Gaussian process regression, are used to predict the tool wear using data from a Haas milling machine performing spiral boss face milling. The performance of the regression models based on subsets of sensors validates the preliminary estimates about the saliency of the sensors. The experimental results show that the proposed methods can predict the machine tool wear precisely, with readily available sensor measurements. Neural network and Gaussian process regression were able to achieve good estimates of tool wear at different machine operating conditions. The most informative signal in predicting tool wear was shown to be the vibration signal. Time-frequency domain features were the most informative features among the combination of features of three domains. In addition, using partial least squares components extracted from the original features of signals led to higher prediction accuracy.

在传统的减法加工行业中,刀具磨损评估是降低加工成本、提高制造效率和产品质量的重要手段。在这种情况下,通常感知信号的时间和频域特征融合可以提供工具磨损的早期指示,并提高其预测精度,用于预测和健康管理。本文提出了一种数据驱动的方法和一个完整的工具链,用于从熔合机床测量(如切削力、功率、音频和振动信号)推断精密加工刀具磨损,并量化每个测量的有用性。通过时域信号统计、频域分析和时频域分析提取刀具磨损指标。提取的特征(指标)与刀具磨损之间的相关系数用于选择信息量最大的特征。利用主成分分析和偏最小二乘对特征空间进行降维。采用线性回归、支持向量回归、决策树回归、神经网络回归和高斯过程回归等回归模型,利用Haas铣床进行螺旋凸台面铣削的数据对刀具磨损进行预测。基于传感器子集的回归模型的性能验证了传感器显著性的初步估计。实验结果表明,该方法可以准确地预测机床的磨损,并且可以获得传感器测量值。神经网络和高斯过程回归能够很好地估计不同机床运行条件下的刀具磨损。在预测刀具磨损时,最具信息量的信号是振动信号。在三域特征组合中,时频域特征信息量最大。此外,利用从信号原始特征中提取的偏最小二乘分量可以提高预测精度。
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引用次数: 3
Engineering a ceramic piston pump to minimize particle formation for a therapeutic immunoglobulin: A combined factorial and modeling approach 设计陶瓷活塞泵以最大限度地减少治疗性免疫球蛋白的颗粒形成:一种综合因子和建模方法
Pub Date : 2022-07-30 DOI: 10.1002/amp2.10142
Kirk Roffi, Israel B. Sebastião, Alexandre Morel

During fill-finish manufacturing, protein-pump surface interactions can induce subvisible particle (SVP) formation which poses a risk to drug product quality and patient safety. Despite this risk, there have been no concerted efforts to understand the effects of piston pump design on SVP formation. We've systematically varied the design of the piston-cylinder interface to minimize SVP formation for a therapeutic immunoglobulin. The clearance factor, surface roughness factor, and their combined interaction significantly affected particle concentrations, quantitated by light obscuration and microflow imaging. Optimized pump designs reduced particle levels by 1–2 orders of magnitude compared to the off-the-shelf equipment. At the piston surface, scanning electron microscopy revealed evidence of protein film abrasion, a process which ejects SVPs from the piston-cylinder interface as wear debris. Computational fluid dynamics and quartz crystal microbalance were applied to simulate fluid flow and protein adsorption phenomena in the pump respectively. The risk of protein film abrasion was modeled along a hypothetical Stribeck curve, thereby interconnecting design parameters, lubrication conditions, and SVP formation. Our findings support implementation of a modular pump platform with interchangeable pistons; this approach would enable the pump design to be customized based on each protein's propensity to form SVPs. This flexible approach can benefit pharmaceutical manufacturers and patients alike by accelerating tech transfer and improving process control.

在填充精加工制造过程中,蛋白质泵表面的相互作用会诱导亚可见颗粒(SVP)的形成,这对药品质量和患者安全构成风险。尽管存在这种风险,但尚未共同努力了解活塞泵设计对SVP形成的影响。我们系统地改变了活塞-气缸接口的设计,以最大限度地减少治疗性免疫球蛋白SVP的形成。间隙因子、表面粗糙度因子及其组合相互作用显著影响颗粒浓度,通过光遮蔽和微流成像进行定量。与现成的设备相比,优化的泵设计将颗粒水平降低了1-2个数量级。在活塞表面,扫描电子显微镜显示了蛋白质膜磨损的证据,这一过程将SVP作为磨损碎片从活塞-气缸界面喷出。应用计算流体力学和石英晶体微天平分别模拟了泵中的流体流动和蛋白质吸附现象。蛋白质膜磨损的风险是沿着假设的Stribeck曲线建模的,从而将设计参数、润滑条件和SVP形成相互关联。我们的研究结果支持了具有可互换活塞的模块化泵平台的实施;这种方法将使泵的设计能够基于每种蛋白质形成SVP的倾向进行定制。这种灵活的方法可以通过加快技术转让和改进过程控制,使制药商和患者都受益。
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引用次数: 0
Engineering a Ceramic Piston Pump to Minimize Particle Formation for a Therapeutic Immunoglobulin: a combined factorial and modelling approach 工程陶瓷柱塞泵以减少治疗性免疫球蛋白的颗粒形成:综合因子和建模方法
Pub Date : 2022-07-30 DOI: 10.1002/amp2.10142
Kirk Roffi, I. Sebastião, Alexandre Morel
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引用次数: 0
A simulation-based integrated virtual testbed for dynamic optimization in smart manufacturing systems 基于仿真的智能制造系统动态优化集成虚拟试验台
Pub Date : 2022-07-21 DOI: 10.1002/amp2.10141
Yuting Sun, Jiachen Tu, Mikhail Bragin, Liang Zhang

In a manufacturing system, production control-related decision-making activities occur at different levels. At the process level, one of the main control activities is to tune the parameters of individual manufacturing equipment. At the system level, the main activity is to coordinate production resources and to route parts to appropriate workstations based on their processing requirement, priority indices, and control policy. At the factory level, the goal is to plan and schedule the processing of parts at different operations for the entire system in order to optimize certain objectives. Note that the results of such activities at different levels are closely coupled and affect the overall performance of the manufacturing system as a whole. Therefore, it is important to systematically integrate these control and optimization activities into one unified platform to ensure the goal of each individual activity is aligned with the overall performance of the system. In this paper, we develop a simulation-based virtual testbed that implements dynamic optimization, automatic information exchange, and decision-making from the process-level, system-level, and factory-level of a manufacturing system into an integrated computation environment. This is demonstrated by connecting a Python-based numerical computation program, discrete-event simulation software (Simul8), and an optimization solver (CPLEX) via a third-party master program. The application of this simulation-based virtual testbed is illustrated by a case study in a machining shop.

在制造系统中,与生产控制相关的决策活动发生在不同的层次上。在过程级,主要控制活动之一是调整单个制造设备的参数。在系统级别,主要活动是协调生产资源,并根据其加工要求、优先级指标和控制策略将部件路由到适当的工作站。在工厂层面,目标是计划和安排整个系统在不同操作下的零件加工,以优化某些目标。请注意,这些活动在不同层次上的结果是紧密耦合的,并作为一个整体影响制造系统的整体性能。因此,系统地将这些控制和优化活动集成到一个统一的平台中,以确保每个单独活动的目标与系统的整体性能保持一致,这一点非常重要。在本文中,我们开发了一个基于仿真的虚拟测试平台,实现了从制造系统的过程级、系统级和工厂级到集成计算环境的动态优化、自动信息交换和决策。通过第三方主程序连接基于python的数值计算程序、离散事件模拟软件(Simul8)和优化求解器(CPLEX)来演示这一点。以某加工车间为例,说明了基于仿真的虚拟试验台的应用。
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引用次数: 2
Multi-objective optimization for cost-efficient and resilient machining under tool wear 刀具磨损条件下高效弹性加工的多目标优化
Pub Date : 2022-07-20 DOI: 10.1002/amp2.10140
James P. Wilson, Zongyuan Shen, Utsav Awasthi, George M. Bollas, Shalabh Gupta

With the onset and rapid growth of smart manufacturing, there is a constant increase in the demand for automation technologies to enhance productivity while providing uninterrupted, cost-efficient, and resilient machining. Traditional manufacturing systems, however, suffer from several losses due to machine faults and degradation. Specifically, tool wear directly impacts the precision and quality of the milled parts, which causes an increase in the scrap production. Hence, more attempts are required to meet the desired quota of successful parts, which in turn results in wasted material, longer delays, further tool degradation, and higher energy, machining, and labor costs. As such, this paper develops a multi-objective optimization framework to generate the optimal control set points (e.g., feed rate and width of cut) that minimize the total cost of machining operations resulting from multiple contradictory cost functions (e.g., material, energy, tardiness, machining, labor, and tool) in the presence of tool wear. Notably, we estimate the total expected cost in dollars, which provides automatic and intuitive weighting in this multi-objective formulation. The optimization framework is tested on a high-fidelity face milling model that has been validated on real data from industry. Results show significant dollar savings of up to 15% as compared to the default control scheme.

随着智能制造的兴起和快速发展,对自动化技术的需求不断增加,以提高生产率,同时提供不间断、经济高效和弹性的加工。然而,由于机器故障和退化,传统的制造系统遭受了一些损失。具体而言,刀具磨损直接影响铣削零件的精度和质量,导致废品量增加。因此,需要更多的尝试来满足成功零件的期望配额,这反过来导致材料浪费,更长的延迟,进一步的刀具退化,以及更高的能源,加工和人工成本。因此,本文开发了一个多目标优化框架,以生成最优控制设设点(例如,进给速度和切割宽度),使刀具磨损情况下由多个矛盾的成本函数(例如,材料,能源,延迟,加工,人工和刀具)引起的加工操作总成本最小化。值得注意的是,我们以美元来估计总预期成本,这在这个多目标公式中提供了自动和直观的权重。该优化框架在一个高保真面铣削模型上进行了测试,并在实际工业数据上进行了验证。结果显示,与默认控制方案相比,节省了高达15%的资金。
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引用次数: 3
Additively manufactured cryogenic microchannel distillation device for air separation 增设低温微通道空气分离蒸馏装置
Pub Date : 2022-07-13 DOI: 10.1002/amp2.10139
Danny R. Bottenus, Paul H. Humble, Russell Burnett, Warren Harper, Tim Veldman, Michael R. Powell, John A. Barclay, James Ely

The efficiency of air separation is tested using three different small-scale cryogenic distillation columns. The performance of a random packed column is compared to the performance of two microchannel distillation (MCD) columns that use thin wicking structures and gas flow channels to achieve process intensification. The MCD columns tested include a plate-type layered column and an additively manufactured porous honeycomb (AMPH) column. For columns with 25.4 cm of active height and run under similar conditions, the packed, plate-type layering, and AMPH columns achieved approximate height equivalent of a theoretical plate (HETP) values of 5.5, 3.7, and 3.2 cm for nitrogen, and 5.9, 4.9, and 3.3 cm for argon. The AMPH column can produce up to 0.4 SLM of more than 90% purity oxygen with 12 W of cooling lift. These results demonstrate the feasibility of using additive manufacturing to construct MCD devices and pave a way for constructing novel MCD designs.

采用三种不同的小型低温精馏塔对空气分离效率进行了测试。将随机填充塔的性能与两个微通道精馏(MCD)塔的性能进行了比较,这两个微通道精馏塔使用薄芯结构和气体流动通道来实现过程强化。测试的MCD柱包括板状层状柱和增材制造多孔蜂窝(AMPH)柱。对于活性高度为25.4 cm并在类似条件下运行的柱,填料,板型分层和AMPH柱的高度近似相当于理论板(HETP)值,氮气为5.5,3.7和3.2 cm,氩气为5.9,4.9和3.3 cm。AMPH柱可以产生高达0.4 SLM的90%以上纯度的氧气与12 W的冷却提升。这些结果证明了使用增材制造构建MCD器件的可行性,并为构建新型MCD设计铺平了道路。
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引用次数: 0
Developing a supervised machine-learning model capable of distinguishing fiber orientation of polymer composite samples nondestructively tested using active ultrasonics 开发一种监督机器学习模型,该模型能够区分使用主动超声无损测试的聚合物复合材料样品的纤维取向
Pub Date : 2022-07-13 DOI: 10.1002/amp2.10138
Austin D. Bedrosian, Michael R. Thompson, Andrew Hrymak, Gisela Lanza

This study evaluated the paired performance of different signal processing techniques and supervised learning models being capable of identifying subtle differences in otherwise similar acoustic signals related to detecting the fiber orientation of a polymer composite. Projection of Latent Structures models demonstrated poor predictive capabilities of the composite structure based on spectral analysis of the acoustic signal. AI based models showed great improvements to the capabilities, with artificial neural network modeling exceeding Convolutional Neural Networks for correct classification accuracies. The continuous wavelet transfer highlighted the greatest degree of differences in the signal response compared with fast Fourier Transformation or short time Fourier transformation. The use of regression-based predictions over classification-based was found to greatly improve the predictive capabilities of the models, especially when multiple fiber orientations were present in a sample. A time-based analysis of spectral data showed the frequencies of the signal changed based on the orientation of the fibers. The acoustic signals for the samples with multiple fiber orientations contained individual artifacts representing components of each individual orientation. Use of the frequency domain was shown as capable of observing the targeted fiber information within the bulk material in real-time. This work shows great promise for composite material predictions using active ultrasonics, with the potential to be implemented into in-line systems.

本研究评估了不同信号处理技术和监督学习模型的配对性能,这些模型能够识别与检测聚合物复合材料纤维取向相关的其他相似声学信号的细微差异。基于声信号谱分析的复合结构投影模型的预测能力较差。基于人工智能的模型在能力上有了很大的提高,在正确的分类精度方面,人工神经网络建模超过了卷积神经网络。连续小波变换与快速傅立叶变换或短时傅立叶变换相比,突出了信号响应差异的最大程度。与基于分类的预测相比,使用基于回归的预测可以大大提高模型的预测能力,特别是当样品中存在多个纤维取向时。基于时间的频谱数据分析显示,信号的频率根据光纤的方向而变化。具有多个纤维方向的样品的声信号包含代表每个单独方向的分量的单个伪影。频域的使用被证明能够实时观察块状材料内的目标纤维信息。这项工作显示了利用主动超声预测复合材料的巨大前景,有可能在在线系统中实现。
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引用次数: 2
A machine learning approach for clinker quality prediction and nonlinear model predictive control design for a rotary cement kiln 水泥回转窑熟料质量预测的机器学习方法及非线性模型预测控制设计
Pub Date : 2022-07-13 DOI: 10.1002/amp2.10137
Asem M. Ali, Juan David Tabares, Mark W. McGinley

Cement manufacturing is energy-intensive (5Gj/t) and comprises a significant portion of the energy footprint of concrete systems. Incorporating modern monitoring, simulation and control systems will allow lower energy use, lower environmental impact, and lower costs of this widely used construction material. One of the goals of the CESMII roadmap project on the Smart Manufacturing of Cement included developing an analytical process model for clinker quality that includes the chemistry of the kiln feed and accounts for critical process variables. This predictive model will be used in nonlinear model predictive control system designed to significantly reduce process energy use while maintaining or improving product quality. In the cement manufacturing plant used in this study, the kiln feed (meal) is tested every 12 h and used to estimate the mineral composition of the cement kiln output (clinker) using the stoichiometry-based Bogue's model and the expertise of the plant operators. During kiln operation, kiln output (clinker) is sampled and tested every 2 h to measure its chemical and mineral composition. The predicted and measured values of the clinker composition are used by the plant operators to adjust the kiln input stream and the production process characteristics to maintain stable operation and uniform product quality. However, the time delay between prediction and testing, along with inaccuracies inherent in the Bogue's model have made any process changes designed to minimize energy use problematic, especially in-light of potential clinker quality issues that process changes often pose. A new analytical model that integrates quality information and process operation information has been developed from data collected from 2 years of production from an operating cement facility. To make the model fuel-type-independent, consumed heat energy was computed in the model instead of fuel type and amount. A Feedforward Network was trained and tailored from collected data. Many data-based simulations were conducted to quantitatively evaluate the proposed model and the 5-fold cross-validation procedure was used to test the models. The resulting predictive model was shown to have a low root mean square error (MSE) with respect to the estimated clinker mineral composition compared to that using the industry standard “Bogue’ model”. The end goal of this work was to develop a single machine learning tool that allows the use of quality control data and process control variables to improve energy efficiency of the process in a continuous fashion. The proposed nonlinear model predictive control system (NMPC) can generate predicted kiln production characteristics based on manipulated variables in manner that accurately follows the target product quality values. Simulation results also show that the proposed model produced accurate predictions of kiln outputs that fell within the required constraints, while manipulating control variables within typical oper

水泥制造是能源密集型的(5Gj/t),占混凝土系统能源足迹的很大一部分。结合现代监测,模拟和控制系统将允许更低的能源使用,更低的环境影响,并降低这种广泛使用的建筑材料的成本。CESMII关于水泥智能制造的路线图项目的目标之一包括开发熟料质量的分析过程模型,该模型包括窑料的化学成分和关键过程变量。该预测模型将用于非线性模型预测控制系统,旨在显著减少过程能耗,同时保持或提高产品质量。在本研究中使用的水泥厂中,每12小时测试一次窑料(粗料),并使用基于化学计量学的Bogue模型和工厂操作员的专业知识来估计水泥窑产出(熟料)的矿物组成。在窑炉运行过程中,每隔2小时对窑出物(熟料)进行取样和检测,以测定其化学和矿物成分。熟料组成的预测值和实测值供工厂操作人员用来调整窑炉的投入流量和生产工艺特性,以保持稳定的运行和均匀的产品质量。然而,预测和测试之间的时间延迟,以及Bogue模型固有的不准确性,使得任何旨在最大限度地减少能源使用的工艺变化都存在问题,特别是考虑到工艺变化经常带来的潜在熟料质量问题。一个新的分析模型集成了质量信息和工艺操作信息,该模型是根据一家水泥工厂2年的生产数据开发的。为了使模型与燃料类型无关,在模型中计算的是消耗的热能,而不是燃料类型和数量。根据收集的数据对前馈网络进行训练和定制。我们进行了许多基于数据的模拟来定量评估所提出的模型,并使用5倍交叉验证程序来测试模型。结果表明,与使用行业标准“Bogue”模型相比,预测模型在估计熟料矿物成分方面具有较低的均方根误差(MSE)。这项工作的最终目标是开发一个单一的机器学习工具,允许使用质量控制数据和过程控制变量,以持续的方式提高过程的能源效率。提出的非线性模型预测控制系统(NMPC)能够基于被控变量生成预测窑生产特性,准确跟踪目标产品质量值。仿真结果还表明,所提出的模型在典型操作范围内操纵控制变量的同时,对窑炉产量进行了准确的预测,该预测落在所需的约束范围内。
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引用次数: 4
期刊
Journal of advanced manufacturing and processing
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