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Production of esters with numerous applications: Kinetics of Dowex 50W catalyzed transesterification of methyl acetate with three‐ and four‐carbon structured alcohols 生产用途广泛的酯类Dowex 50W 催化醋酸甲酯与三碳和四碳结构醇酯化反应的动力学原理
Pub Date : 2024-02-06 DOI: 10.1002/cjce.25203
Bader H. Albusairi, Abdulwahab S. Almusallam, Sami H. Ali, Sabiha Q. Merchant, Ali Y. Bumajdad
In this investigation, a strongly acidic exchange resin was used for the transesterification of methyl acetate with n‐propanol, n‐butanol, and iso‐butanol. Kinetic and equilibrium experiments for the three systems were conducted using a temperature‐controlled batch reactor setup. The effects of the following operating parameters on the transesterification were explored: reaction temperature, catalyst loading, and methyl acetate‐to‐alcohol molar ratio. The conversion of the limiting reactant in the reaction mixture increased with increasing reaction temperature, catalyst loading, and varying reactant proportions from 1:1 to other ratios. It was found that excess methyl acetate would result in higher limiting reactant conversion than using excess alcohol with the same initial molar proportionality between the excess and the limiting reactants. It was found that an increase in the chain length of the alcohol and/or branching suppressed the conversion of the reactants owing to steric hindrance. To mathematically correlate the data, several kinetic models were tested, and the Eley–Rideal model was selected. Accordingly, a reaction mechanism was proposed.
在这项研究中,一种强酸性交换树脂被用于醋酸甲酯与正丙醇、正丁醇和异丁醇的酯交换反应。使用温控间歇反应器装置对这三种体系进行了动力学和平衡实验。实验探讨了以下操作参数对酯交换反应的影响:反应温度、催化剂负载和醋酸甲酯与酒精的摩尔比。反应混合物中限制反应物的转化率随着反应温度的升高、催化剂负载的增加以及反应物比例从 1:1 到其他比例的变化而增加。研究发现,在过量反应物和限制反应物之间的初始摩尔比例相同的情况下,过量的醋酸甲酯会比使用过量的酒精产生更高的限制反应物转化率。研究发现,由于立体阻碍,醇的链长和/或分支的增加会抑制反应物的转化。为了对数据进行数学关联,对几个动力学模型进行了测试,最后选择了 Eley-Rideal 模型。因此,提出了一种反应机理。
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引用次数: 0
Sustainable process design for heat exchanger network considering inherent safety and process economics 考虑到固有安全性和工艺经济性的热交换器网络可持续工艺设计
Pub Date : 2024-02-06 DOI: 10.1002/cjce.25202
Muhammad Athar, A. M. Shariff, Muhammad Imran Rashid, Mahboob Ahmed Aadil, Asim Umer, Muhammad Irfan
Process lifecycle has several stages, including process design covered in multiple stages. Process economics is a vital factor in finalizing the process design. Besides economics, inherent safety is an important concept contributing to sustainable process design generation. The inherent safety concept has been applied via equipment characteristics for individual equipment. Since a method considering inherent safety with equipment aspects and process economics has not been available, therefore, a new method has been proposed, namely sustainable process design for heat exchanger network (SPDHEN), to integrate inherent safety, equipment aspects, and process economics. SPDHEN uses indexing to identify the critical heat exchanger, which is then examined via hazard analysis for an explosion. For unacceptable hazards, inherent safety principles are engaged to generate design alternatives for which process economics is examined too. The final design would be inherently safer with the best profit margin. The proposed method has been studied for the ammonia synthesis loop. It is concluded that the explosion hazard has been reduced to a tolerable level by using inherent guide words with a marginal compromise on quantity of ammonia produced, that is, 0.32%. This method is straightforward and can be useful for process engineers to generate sustainable process designs for heat exchanger networks considering safety and process economics simultaneously.
工艺生命周期分为多个阶段,其中包括分多个阶段进行的工艺设计。工艺经济性是最终确定工艺设计的重要因素。除了经济性,固有安全性也是有助于产生可持续工艺设计的一个重要概念。固有安全概念是通过单个设备的设备特性来实现的。由于目前还没有一种将固有安全性与设备特性和工艺经济性结合起来考虑的方法,因此我们提出了一种新方法,即换热器网络可持续工艺设计(SPDHEN),将固有安全性、设备特性和工艺经济性结合起来。SPDHEN 采用索引法确定关键换热器,然后通过爆炸危险分析对其进行检查。对于不可接受的危险,则采用固有安全原则来生成设计替代方案,并对其工艺经济性进行检查。最终的设计将是本质上更安全且利润率最高的。针对氨合成回路研究了所提出的方法。结论是,通过使用固有的指导原则,爆炸危险已降低到可容忍的水平,但氨的生产量却略有下降,仅为 0.32%。这种方法简单明了,可帮助工艺工程师为热交换器网络进行可持续工艺设计,同时考虑安全性和工艺经济性。
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引用次数: 0
Towards strengthening resilience of organizations by risk management tools: A scientometric perspective on COVID‐19 experience in a healthcare and industrial setting 通过风险管理工具加强组织的复原力:从科学计量学角度看 COVID-19 在医疗保健和工业环境中的经验
Pub Date : 2024-02-02 DOI: 10.1002/cjce.25196
Bruno Fabiano, Mariangela Guastaferro, M. Pettinato, Hans J. Pasman
During the COVID‐19 pandemic, the healthcare system and the global supply chain were exposed to an unpredicted event, which increased awareness about the need of more effective strategies to support decision‐making process and to empower safety barriers. In this work, a combined scientometric and systematic review was performed to analyze tools and methodologies able to combine resilience with more traditional risk assessment, learning from the experience posed by the COVID‐19 crisis. Bibliometric and literature content analyses were carried out focusing on resilience management upon the incoming of an unexpected event. The systematic analysis of the methods and models developed on the basis of different pandemic waves provides a natural guide for future research development.
在 COVID-19 大流行期间,医疗保健系统和全球供应链遭遇了一次不可预知的事件,这让人们更加意识到需要更有效的战略来支持决策过程并增强安全屏障的能力。在这项工作中,我们结合科学计量学和系统综述,分析了能够将复原力与更传统的风险评估相结合的工具和方法,并从 COVID-19 危机中汲取了经验。对文献计量和文献内容进行了分析,重点是突发事件发生后的复原力管理。对在不同大流行病浪潮基础上开发的方法和模型进行系统分析,为今后的研究发展提供了自然的指导。
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引用次数: 0
A machine learning approach for modelling and optimization of complex systems: Application to condensate stabilizer plants 复杂系统建模和优化的机器学习方法:凝结水稳定器设备的应用
Pub Date : 2024-01-18 DOI: 10.1002/cjce.25180
Mohammed Alkatheri, Farzad Hourfar, Ladan Khoshnevisan, Hedia Fgaier, Ali Almansoori, Ali Elkamel
Recent advancements in supervised machine learning tools have demonstrated their ability to achieve accurate and efficient prediction results. In this paper, we leverage these tools as alternative approaches to model a specific application in the gas industry, based on operating data. The chosen application is a natural gas condensate stabilization process, in which light end components are removed to reduce condensate vapour pressure, meeting storage and transportation specifications. Here, we develop and evaluate various supervised machine learning models to predict the performance of two industrial condensate stabilizer units. By utilizing large datasets from these units and encompassing comprehensive operating data of input–output variables, we not only demonstrate the capability of these techniques to offer reliable and accurate predictions but also shed light on their potential impacts and implementations. The impacts of applying selected AI and machine learning algorithms are two-fold. First, our research presents an innovative approach to process modelling and optimization in the gas industry, showing the potential for enhanced operational efficiency, profitability, and safety. Second, we propose a data-driven surrogate-based optimization framework, where the generated machine learning models can replace detailed first-principle models, offering a streamlined method to find optimal values for variables to reduce operational energy consumption. Furthermore, we address the validation requirements of our machine learning models, ensuring their robustness and reliability in real-world applications. By incorporating rigorous validation procedures, we guarantee the quality of our predictions and support their practical implementation. In conclusion, our research not only highlights the capabilities of machine learning in gas industry applications but also emphasizes their potential impacts and contributions to operational excellence. So, the presented approach can pave the way for improved performance, efficiency, and profitability in the gas industry.
有监督机器学习工具的最新进展表明,它们有能力实现准确高效的预测结果。在本文中,我们利用这些工具作为替代方法,以运行数据为基础,对天然气行业的一个特定应用进行建模。我们选择的应用是天然气凝析油稳定化工艺,在该工艺中,轻质末端成分被去除,以降低凝析油蒸汽压,从而满足储存和运输规范。在此,我们开发并评估了各种有监督的机器学习模型,以预测两个工业凝析油稳定装置的性能。通过利用这些装置的大型数据集以及输入输出变量的全面运行数据,我们不仅证明了这些技术提供可靠、准确预测的能力,还阐明了其潜在影响和实施方法。应用选定的人工智能和机器学习算法会产生两方面的影响。首先,我们的研究为天然气行业的流程建模和优化提供了一种创新方法,显示了提高运营效率、盈利能力和安全性的潜力。其次,我们提出了一种基于数据驱动的代用优化框架,其中生成的机器学习模型可以取代详细的第一原理模型,提供一种简化的方法来找到变量的最优值,从而降低运营能耗。此外,我们还解决了机器学习模型的验证要求,确保其在实际应用中的稳健性和可靠性。通过采用严格的验证程序,我们保证了预测的质量,并支持其实际应用。总之,我们的研究不仅突出了机器学习在天然气行业应用中的能力,还强调了其对卓越运营的潜在影响和贡献。因此,我们提出的方法可以为提高天然气行业的性能、效率和盈利能力铺平道路。
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引用次数: 0
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The Canadian Journal of Chemical Engineering
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