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Accelerating process control and optimization via machine learning
IF 4.7 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-03-12 DOI: 10.1515/revce-2024-0060
Ilias Mitrai, Prodromos Daoutidis
Process control and optimization have been widely used to solve decision-making problems in chemical engineering applications. However, identifying and tuning the best solution algorithm is challenging and time-consuming. Machine learning tools can be used to automate these steps by learning the behavior of a numerical solver from data. In this paper, we discuss recent advances in (i) the representation of decision-making problems for machine learning tasks, (ii) algorithm selection, and (iii) algorithm configuration for monolithic and decomposition-based algorithms. Finally, we discuss open problems related to the application of machine learning for accelerating process optimization and control.
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引用次数: 0
Identifying gaps in practical use of epoxy foam/aerogels: review - solutions and prospects
IF 4.7 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-03-03 DOI: 10.1515/revce-2024-0044
Tomy Muringayil Joseph, Seitkhan Azat, Ehsan Kianfar, Kunnelveli S. Joshy, Omid Moini Jazani, Amin Esmaeili, Zahed Ahmadi, Józef Haponiuk, Sabu Thomas
Epoxy foam/aerogel materials (EP-AGs) have potential in the aerospace, construction, and energy industries, allowing the development of lightweight high-performance products for a wide range of applications. Research interest in developing EP-AGs is increasing as it has the potential to create greener and more sustainable materials for making various products. Several commercial applications of EP-AGs and techniques for creating, processing, and drying them have already been reported. The introduction of EP-AGs into value-added materials is one of the most promising options but suffers from a lack of knowledge about the relationships between microstructure and properties. The current obstacles to their use in the industrial sector and for applications and challenges related to factory scale-up are also taken into account. EP-AGs are hindered by critical gaps in applicational and processing complexity, such as scaling up from laboratory to large-scale production, optimizing synthesis and processing techniques, and developing standardized testing protocols. The review focuses on the processing complexities and further difficulties associated with EP-AGs to improve casting burdens, cost-effectiveness, and accessibility in various applications. This review also examines the challenges in synthesizing EP-AGs used to make special materials, their practices, and the technological barriers one would face.
环氧泡沫/气凝胶材料(EP-AGs)在航空航天、建筑和能源行业具有巨大潜力,可为各种应用领域开发轻质高性能产品。开发 EP-AGs 的研究兴趣与日俱增,因为它有可能创造出更环保、更可持续的材料,用于制造各种产品。目前已有一些关于 EP-AG 的商业应用以及制造、加工和干燥 EP-AG 的技术的报道。将 EP-AGs 引入高附加值材料是最有前景的选择之一,但由于缺乏对微观结构与性能之间关系的了解,这种方法还存在一些问题。此外,还要考虑到目前在工业领域使用 EP-AGs 的障碍,以及与工厂规模化相关的应用和挑战。EP-AG 在应用和加工复杂性方面的关键差距阻碍了其发展,例如从实验室到大规模生产的放大、合成和加工技术的优化以及标准化测试协议的制定。本综述的重点是 EP-AGs 的加工复杂性和进一步的困难,以改善铸造负担、成本效益和在各种应用中的可及性。本综述还探讨了合成用于制造特殊材料的 EP-AG 所面临的挑战、做法以及可能面临的技术壁垒。
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引用次数: 0
Applications of ionizing irradiation in oil industry: a review
IF 4.7 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-02-06 DOI: 10.1515/revce-2024-0072
Ali Taheri, Seyed Pezhman Shirmardi
Ionizing radiation offers unique opportunities for addressing critical challenges in the oil industry, including efficient hydrocarbon processing and environmental remediation. This review highlights the diverse applications of ionizing radiation in oil-related processes, such as cracking, polymerization, desulfurization, and the treatment of oilfield-produced wastewater. By synthesizing findings from recent studies, this paper emphasizes the advantages of radiation technologies in enhancing process efficiency, reducing environmental impact, and supporting sustainable energy production. The necessity of this review lies in bridging knowledge gaps, identifying emerging trends, and fostering the broader adoption of advanced radiation-based technologies in the oil sector.
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引用次数: 0
Particle dynamics in optical tweezer systems 光学镊子系统中的粒子动力学
IF 4.7 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-01-11 DOI: 10.1515/revce-2024-0052
Xinxin Wu, Yueyan Liu, Shangzhong Jin, Mingzhou Yu
The last four decades have witnessed the flourished harvesting in optical tweezers technology, leading to the development of a number of mainstream and emerging disciplines, particularly in physico-chemical processes. In recent years, with the advancement of optical tweezers technology, the study of particle dynamics has been further developed and enhanced. This review presents an overview of the research progress in optical tweezers from the perspective of particle dynamics. It cites relevant theoretical models and mathematical formulas, delves into the principles of mechanics involved in optical tweezers technology, and analyzes the coupling of the particle force field to the optical field in a continuous medium. Through a review of the open literature, this paper highlights historical advances in research on the dynamical behavior of particles since the invention of optical tweezers, including diffusion, aggregation, collisions, and fluid motion. Furthermore, it shows some specific research cases and experimental results in recent years to demonstrate the practical application effects of the combination of particle dynamics and optical tweezers technology in several fields. Finally, it discusses the challenges and constraints facing the field of combining particle technology with optical tweezers technology and prospects potential future research directions and improvements.
过去的四十年见证了光镊技术的蓬勃发展,导致了许多主流和新兴学科的发展,特别是在物理化学过程中。近年来,随着光镊技术的进步,粒子动力学的研究得到了进一步的发展和加强。本文从粒子动力学的角度综述了光镊的研究进展。引用了相关的理论模型和数学公式,深入探讨了光镊技术所涉及的力学原理,分析了连续介质中粒子力场与光场的耦合。本文通过对公开文献的回顾,重点介绍了自光镊发明以来粒子动力学行为研究的历史进展,包括扩散、聚集、碰撞和流体运动。并通过近年来的一些具体研究案例和实验结果,论证了粒子动力学与光镊技术结合在多个领域的实际应用效果。最后,讨论了粒子技术与光镊技术相结合领域面临的挑战和制约因素,并展望了未来可能的研究方向和改进。
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引用次数: 0
A systematic review on the application of machine learning in carbon dioxide absorption in amine-related solvents 机器学习在胺类溶剂中二氧化碳吸收中的应用综述
IF 4.7 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2024-12-30 DOI: 10.1515/revce-2024-0047
Jun Hui Law, Farihahusnah Hussin, Muhammed Basheer Jasser, Mohamed Kheireddine Aroua
Amine absorption has been regarded as an efficient solution in reducing the atmospheric carbon dioxide (CO2) concentration. Machine learning (ML) models are applied in the CO2 capture field to predict the CO2 solubility in amine solvents. Although there are other similar reviews, this systematic review presents a more comprehensive review on the ML models and their training algorithms applied to predict CO2 solubility in amine-related solvents in the past 10 years. A total of 55 articles are collected from Scopus, ScienceDirect and Web of Science following Preferred Reporting Items for Systematic Review and Meta-Analyses guidelines. Neural network is the most frequently applied model while committee machine intelligence system is the most accurate model. However, relatively the same optimisation algorithm was applied for each type of ML models. Genetic algorithm has been applied in most of the discussed ML models, yet limited studies were found. The advantages and limitations of each ML models are discussed. The findings of this review could provide a database of the data points for future research, as well as provide information to future researchers for studying ML application in amine absorption, including but not limited to implementation of different optimisation algorithms, structure optimisation and larger scale applications.
胺吸收被认为是降低大气中二氧化碳浓度的有效方法。机器学习(ML)模型应用于二氧化碳捕获领域,用于预测二氧化碳在胺类溶剂中的溶解度。尽管还有其他类似的综述,但本系统综述对过去10年来用于预测二氧化碳在胺相关溶剂中的溶解度的ML模型及其训练算法进行了更全面的综述。根据系统评价和荟萃分析指南的首选报告项目,从Scopus, ScienceDirect和Web of Science中收集了55篇文章。神经网络是应用最广泛的模型,而委员会机器智能系统是应用最准确的模型。然而,相对相同的优化算法应用于每种类型的ML模型。遗传算法已经应用于大多数讨论的机器学习模型中,但研究有限。讨论了各种机器学习模型的优点和局限性。本综述的研究结果可以为未来的研究提供数据点数据库,并为未来的研究人员研究ML在胺吸收中的应用提供信息,包括但不限于实现不同的优化算法,结构优化和更大规模的应用。
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引用次数: 0
Uncertainty quantification and propagation in atomistic machine learning 原子机器学习中的不确定性量化与传播
IF 4.7 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2024-12-30 DOI: 10.1515/revce-2024-0028
Jin Dai, Santosh Adhikari, Mingjian Wen
Machine learning (ML) offers promising new approaches to tackle complex problems and has been increasingly adopted in chemical and materials sciences. In general, ML models employ generic mathematical functions and attempt to learn essential physics and chemistry from large amounts of data. The reliability of predictions, however, is often not guaranteed, particularly for out-of-distribution data, due to the limited physical or chemical principles in the functional form. Therefore, it is critical to quantify the uncertainty in ML predictions and understand its propagation to downstream chemical and materials applications. This review examines existing uncertainty quantification (UQ) and uncertainty propagation (UP) methods for atomistic ML under the framework of probabilistic modeling. We first categorize the UQ methods and explain the similarities and differences among them. Following this, performance metrics for evaluating their accuracy, precision, calibration, and efficiency are presented, along with techniques for recalibration. These metrics are then applied to survey existing UQ benchmark studies that use molecular and materials datasets. Furthermore, we discuss UP methods to propagate uncertainty in widely used materials and chemical simulation techniques, such as molecular dynamics and microkinetic modeling. We conclude with remarks on the challenges and opportunities of UQ and UP in atomistic ML.
机器学习(ML)为解决复杂问题提供了有前途的新方法,并越来越多地应用于化学和材料科学。一般来说,机器学习模型使用通用的数学函数,并试图从大量数据中学习基本的物理和化学。然而,由于功能形式中的物理或化学原理有限,预测的可靠性往往不能得到保证,特别是对于超出分布的数据。因此,量化机器学习预测中的不确定性并了解其在下游化学和材料应用中的传播至关重要。本文综述了概率建模框架下原子机器学习中现有的不确定性量化(UQ)和不确定性传播(UP)方法。我们首先对UQ方法进行了分类,并解释了它们之间的异同。接下来,介绍了评估其准确性、精密度、校准和效率的性能指标,以及重新校准的技术。然后将这些指标应用于使用分子和材料数据集的现有UQ基准研究。此外,我们讨论了在广泛使用的材料和化学模拟技术中传播不确定性的UP方法,如分子动力学和微动力学建模。最后,我们对原子机器学习中UQ和UP的挑战和机遇进行了评论。
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引用次数: 0
Certifications and testing methods for biodegradable plastics 生物可降解塑料的认证和测试方法
IF 4.7 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2024-12-29 DOI: 10.1515/revce-2024-0061
WooSeok Lee, JaeHyeon Kim, Tai Gyu Lee
This paper offers a comprehensive review of previous studies and articles on international standards and certification criteria for biodegradable plastics. It highlights key insights into the biodegradation environment and certification processes for these materials. As various countries and organizations intensify research efforts on biodegradable plastics, certification standards for biodegradability are evolving and expanding. This trend is expected to play a pivotal role in shaping international standards. Nonetheless, several challenges persist, including the absence of universally recognized testing methods, inconsistencies between real-world and laboratory biodegradation conditions, and a lack of clear definitions and standardized criteria. Above all, establishing international standards is critical to advancing biodegradable plastics as a viable alternative to conventional plastics.
本文对生物降解塑料的国际标准和认证标准进行了综述。它强调了对这些材料的生物降解环境和认证过程的关键见解。随着各国和各组织加大对生物降解塑料的研究力度,生物降解性认证标准也在不断发展和扩大。这一趋势预计将在制定国际标准方面发挥关键作用。尽管如此,一些挑战仍然存在,包括缺乏普遍认可的测试方法,现实世界和实验室生物降解条件之间不一致,以及缺乏明确的定义和标准化标准。最重要的是,建立国际标准对于推动生物可降解塑料成为传统塑料的可行替代品至关重要。
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引用次数: 0
Gas–liquid upflow packed bed reactors: a comprehensive review focused on heat transport 气液上流式填料床反应器:以热传输为重点的综合评述
IF 4.7 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2024-12-14 DOI: 10.1515/revce-2024-0035
María J. Taulamet, Osvaldo M. Martínez, Guillermo F. Barreto, Néstor J. Mariani
A review of the available information about the packed bed reactors with cocurrent upflow of gas and liquid (UFRs), particularly focused on heat transfer with an external medium through the container wall, was undertaken in this contribution. The typical use of such reactors is summarized as well as some novel applications. A brief discussion about fluid-dynamics is also made due to its strong effect on the transport processes. Experimental setup, available data, and literature correlations of heat transfer parameters are thoroughly reviewed. From a critical analysis of the experimental data, a refined database has been built, which allows comparing the performance of the existing correlations for the two parameters of the extensively employed two-dimensional pseudo-homogeneous plug flow model (i.e., effective radial thermal conductivity and wall heat transfer coefficient). In addition, new correlations for these parameters have been developed, which allow improving the actual predictive capabilities. Finally, the global heat transfer between the bed and the wall was comparatively analyzed for upflow (UFRs) and downflow (TBRs) gas–liquid packed bed reactors.
在这篇文章中,对有关气液共流填充床反应器(UFRs)的现有资料进行了回顾,特别着重于通过容器壁与外部介质的传热。总结了该类反应器的典型用途以及一些新的应用。由于流体力学对输运过程的强烈影响,本文还简要讨论了流体力学。实验设置,可用的数据和文献的传热参数的相关性进行了全面审查。通过对实验数据的关键分析,建立了一个精化的数据库,可以比较广泛使用的二维伪均匀塞流模型中两个参数(即有效径向导热系数和壁面传热系数)的现有相关性。此外,已经开发了这些参数的新相关性,从而提高了实际的预测能力。最后,对比分析了上流式(UFRs)和下流式(TBRs)气液填料床反应器床壁间的整体换热特性。
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引用次数: 0
A tutorial review of machine learning-based model predictive control methods 基于机器学习的模型预测控制方法教程综述
IF 4.7 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2024-12-10 DOI: 10.1515/revce-2024-0055
Zhe Wu, Panagiotis D. Christofides, Wanlu Wu, Yujia Wang, Fahim Abdullah, Aisha Alnajdi, Yash Kadakia
This tutorial review provides a comprehensive overview of machine learning (ML)-based model predictive control (MPC) methods, covering both theoretical and practical aspects. It provides a theoretical analysis of closed-loop stability based on the generalization error of ML models and addresses practical challenges such as data scarcity, data quality, the curse of dimensionality, model uncertainty, computational efficiency, and safety from both modeling and control perspectives. The application of these methods is demonstrated using a nonlinear chemical process example, with open-source code available on GitHub. The paper concludes with a discussion on future research directions in ML-based MPC.
本教程综述提供了基于机器学习(ML)的模型预测控制(MPC)方法的全面概述,涵盖了理论和实践方面。它提供了基于ML模型泛化误差的闭环稳定性的理论分析,并从建模和控制的角度解决了数据稀缺性、数据质量、维数诅咒、模型不确定性、计算效率和安全性等实际挑战。这些方法的应用是用一个非线性化学过程的例子来演示的,在GitHub上有开源代码。最后,对基于ml的MPC的未来研究方向进行了展望。
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引用次数: 0
Research progress of jet washing technology and its exploratory decoking application in delayed coking process 射流洗涤技术的研究进展及其在延迟焦化过程中的探索性除焦应用
IF 4.7 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2024-11-30 DOI: 10.1515/revce-2024-0030
Fuwei Lv, Bingjie Wang, Shijie Yan, Yong Zhu, Qifan Yu, Xiaoyong Yang
Considering the distinctive features of the delayed coking process and taking into account various particulate matter control technologies, the feasibility of using jet washing technology to remove coke powder from process gas is explored. The performance of scrubbers is heavily reliant on the quality of atomization, which in turn is influenced by liquid jet breakup. Due to the multiple interactions of various instabilities involved in jet breakup, as well as the short duration and small scale of this process, it is challenging to observe experimentally. Therefore, the specific fluid dynamics processes are not yet clear. In recent years, extensive research has been conducted on research methods, jet breakup modes, jet breakup characteristics, and jet breakup mechanisms. However, there is a lack of comprehensive review work summarizing these research advancements. This article aims to provide a comprehensive overview to facilitate jet scrubber designers’ systematic understanding of progress in jet breakup research. Furthermore, it discusses the significance of studying confined spaces for jet breakup with the objective of providing valuable insights for designing and optimizing delayed coker.
针对延迟焦化过程的特点,综合考虑多种颗粒物控制技术,探讨了采用射流洗涤技术去除工艺气中焦炭粉的可行性。洗涤器的性能在很大程度上取决于雾化质量,而雾化质量又受液体射流破碎的影响。由于射流破碎过程中各种不稳定性的多重相互作用,以及这一过程的持续时间短、规模小,实验观察具有挑战性。因此,具体的流体动力学过程尚不清楚。近年来,人们在研究方法、射流破碎模式、射流破碎特性、射流破碎机理等方面进行了广泛的研究。然而,目前还缺乏对这些研究进展进行全面总结的综述工作。本文旨在提供一个全面的概述,以方便射流洗涤器设计者系统地了解射流破碎的研究进展。讨论了研究密闭空间射流破碎的意义,为延迟焦化器的设计和优化提供了有价值的见解。
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引用次数: 0
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