Computers & Chemical Engineering最新文献_第7页

Conceptual design of furfural extraction, oxidative upgrading and product recovery: COSMO-RS-based process-level solvent screening 糠醛提取、氧化升级和产品回收的概念设计：基于 COSMO-RS 的工艺级溶剂筛选

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-08-20 DOI: 10.1016/j.compchemeng.2024.108835

Ville Tuppurainen , Lorenz Fleitmann , Jani Kangas , Kai Leonhard , Juha Tanskanen

{"title":"Conceptual design of furfural extraction, oxidative upgrading and product recovery: COSMO-RS-based process-level solvent screening","authors":"Ville Tuppurainen , Lorenz Fleitmann , Jani Kangas , Kai Leonhard , Juha Tanskanen","doi":"10.1016/j.compchemeng.2024.108835","DOIUrl":"10.1016/j.compchemeng.2024.108835","url":null,"abstract":"<div><p>Liquid phase oxidation of furfural using hydrogen peroxide offers a promising route for bio-based C<sub>4</sub> furanones and diacids; however, only dilute water-based process designs have been previously suggested that have limited techno-economic potential. In this study, a conceptual process design is presented, where aqueous furfural is extracted using an organic solvent, coupled with peroxide oxidation and product recovery in the presence of the solvent. To address the problem of solvent selection, the COSMO-RS-based solvent screening framework is applied, where quantum mechanics-based thermodynamics are utilized in pinch-based process models. About 2500 solvent candidates were identified as feasible. Focusing on a set of 400 solvent candidates revealed energy consumption values (<em>Q</em><sub>reb,tot</sub>/<em>ṁ</em><sub>prod recov</sub>) between approximately 2 MWh/tonne and 33 MWh/tonne, signifying the potential of the solvent-based process in outperforming the reference aqueous process (49.4 MWh/tonne). The study provides potential solvent candidates and future directions to consider in more costly computational and experimental efforts.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"191 ","pages":"Article 108835"},"PeriodicalIF":3.9,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0098135424002539/pdfft?md5=ca0d1863c6ba63581c59f7440512bc6a&pid=1-s2.0-S0098135424002539-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142049598","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Optimization of design and operation of a digestate treatment cascade for demand side management implementation 优化沼渣处理级联的设计和运行，实施需求侧管理

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-08-19 DOI: 10.1016/j.compchemeng.2024.108838

Lilli Sophia Röder , Arne Gröngröft , Marcus Grünewald , Julia Riese

{"title":"Optimization of design and operation of a digestate treatment cascade for demand side management implementation","authors":"Lilli Sophia Röder , Arne Gröngröft , Marcus Grünewald , Julia Riese","doi":"10.1016/j.compchemeng.2024.108838","DOIUrl":"10.1016/j.compchemeng.2024.108838","url":null,"abstract":"<div><p>Sustainable chemical engineering through demand side management (DSM) and renewable feedstock integration e.g. in biorefineries are key to optimizing the use of fluctuating energy resources and minimizing environmental impact while conserving resources. This contribution presents the results of the economic evaluation of integrating DSM into biofuel biorefineries through a dynamic simulation approach. A previously developed decision support tool for DSM implementation was extended to describe the size of intermediate buffer tanks as a function of oversizing up- and downstream processes. Design optimization of the process cascade determined the oversizing that allows the optimal balance of operational cost reduction through flexibility and capital cost increase through oversizing. Scheduling optimization validated the results of the steady-state optimization and show that, by considering interactions between processes, buffer tank capacity can be reduced, while increasing DSM potential.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"191 ","pages":"Article 108838"},"PeriodicalIF":3.9,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0098135424002564/pdfft?md5=3420e76bb843ab103881f6f3d5b3cb4c&pid=1-s2.0-S0098135424002564-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142117593","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Online identification of pharmacodynamic parameters for closed-loop anesthesia with model predictive control 利用模型预测控制在线识别闭环麻醉的药效学参数

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-08-17 DOI: 10.1016/j.compchemeng.2024.108837

Bob Aubouin–Pairault , Mirko Fiacchini , Thao Dang

引用次数: 0

Towards efficient solutions for vehicle routing problems for oxygen supply chains 为氧气供应链的车辆路线问题提供高效解决方案

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-08-14 DOI: 10.1016/j.compchemeng.2024.108827

Yena Lee , Karthik Thyagarajan , Jose M. Pinto , Vassilis M. Charitopoulos , Lazaros G. Papageorgiou

{"title":"Towards efficient solutions for vehicle routing problems for oxygen supply chains","authors":"Yena Lee , Karthik Thyagarajan , Jose M. Pinto , Vassilis M. Charitopoulos , Lazaros G. Papageorgiou","doi":"10.1016/j.compchemeng.2024.108827","DOIUrl":"10.1016/j.compchemeng.2024.108827","url":null,"abstract":"<div><p>This work investigates the integrated production–inventory-routing problem (PIRP) for liquid oxygen supply chains consisting of multiple plants, customers, and heterogeneous vehicles. Solving such a problem is challenging, especially when dealing with large-scale industrial scales. A two-level procedure is adopted that determines decisions regarding production, inventory, and product allocation by simplifying the routing component in the first level. Then, the routing decisions are considered in the lower level for which 3-index mathematical programming formulations are presented. To address the combinatorial complexity of the lower-level decisions, we propose alternative multi-trip heterogeneous vehicle routing problem (MTHVRP) formulations together with a column generation-based solution strategy. A set of test instances and a real-world case study demonstrate the applicability and performance of the formulations and solution methods.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"191 ","pages":"Article 108827"},"PeriodicalIF":3.9,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S009813542400245X/pdfft?md5=77fc095dc484c3779e328e63bd8afdf8&pid=1-s2.0-S009813542400245X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142122905","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Data-driven plant-model mismatch detection for dynamic matrix control systems using sum-of-norms regularization 利用矩阵总和正则化，为动态矩阵控制系统进行数据驱动的工厂模型不匹配检测

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-08-13 DOI: 10.1016/j.compchemeng.2024.108823

Yimiao Shi , Xiaodong Xu , Yuan Yuan , Stevan Dubljevic

引用次数: 0

Self-stabilizing economic nonlinear model predictive control applied to modular systems 应用于模块化系统的自稳定经济非线性模型预测控制

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-08-12 DOI: 10.1016/j.compchemeng.2024.108825

San Dinh , Kuan-Han Lin , Fernando V. Lima , Lorenz T. Biegler

引用次数: 0

Improved prediction of biomass gasification models through machine learning 通过机器学习改进生物质气化模型预测

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-08-10 DOI: 10.1016/j.compchemeng.2024.108834

Aban Sakheta , Thomas Raj , Richi Nayak , Ian O'Hara , Jerome Ramirez

{"title":"Improved prediction of biomass gasification models through machine learning","authors":"Aban Sakheta , Thomas Raj , Richi Nayak , Ian O'Hara , Jerome Ramirez","doi":"10.1016/j.compchemeng.2024.108834","DOIUrl":"10.1016/j.compchemeng.2024.108834","url":null,"abstract":"<div><p>Gasification of lignocellulosic biomass can be used to produce syngas used as a biorefinery feedstock. To facilitate the commercialisation of the gasification process, models are used to predict the outputs, simulate the impacts of irregular circumstances, and analyse process feasibility. This paper presents a hybrid model combining Aspen Plus and machine learning (ML) algorithms to enhance the prediction of gasification outputs. A base case gasification process flowsheet simulation was implemented in Aspen Plus based on assumed thermodynamic equilibrium conditions which can lead to inaccurate results. To address this, six ML algorithms were applied to collected experimental data and analysed for accuracy and efficiency. The feature importance, accuracy improvement, and the effect of implementing the ML predictions in the gasification block on the rest of the flowsheet were investigated. This paper emphasises the need of higher accuracy models and the great potential of ML approaches to offer high accurate predictions.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"191 ","pages":"Article 108834"},"PeriodicalIF":3.9,"publicationDate":"2024-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0098135424002527/pdfft?md5=16d3690a4f5ab0fe1a7e87a18851495e&pid=1-s2.0-S0098135424002527-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142049600","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Designing a centralized storage hydrogen supply chain network with multi-period and bi-objective optimization 利用多周期和双目标优化设计集中式储氢供应链网络

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-08-08 DOI: 10.1016/j.compchemeng.2024.108820

Linfei Feng, Hervé Manier, Marie-Ange Maniera

引用次数: 0

Development of algorithms for augmenting and replacing conventional process control using reinforcement learning 利用强化学习开发增强和替代传统过程控制的算法

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-08-08 DOI: 10.1016/j.compchemeng.2024.108826

Daniel Beahr , Debangsu Bhattacharyya , Douglas A. Allan , Stephen E. Zitney

引用次数: 0

End-to-end reinforcement learning of Koopman models for economic nonlinear model predictive control 用于经济非线性模型预测控制的库普曼模型端到端强化学习

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-08-05 DOI: 10.1016/j.compchemeng.2024.108824

Daniel Mayfrank , Alexander Mitsos , Manuel Dahmen

{"title":"End-to-end reinforcement learning of Koopman models for economic nonlinear model predictive control","authors":"Daniel Mayfrank , Alexander Mitsos , Manuel Dahmen","doi":"10.1016/j.compchemeng.2024.108824","DOIUrl":"10.1016/j.compchemeng.2024.108824","url":null,"abstract":"<div><p>(Economic) nonlinear model predictive control ((e)NMPC) requires dynamic models that are sufficiently accurate and computationally tractable. Data-driven surrogate models for mechanistic models can reduce the computational burden of (e)NMPC; however, such models are typically trained by system identification for maximum prediction accuracy on simulation samples and perform suboptimally in (e)NMPC. We present a method for end-to-end reinforcement learning of Koopman surrogate models for optimal performance as part of (e)NMPC. We apply our method to two applications derived from an established nonlinear continuous stirred-tank reactor model. The controller performance is compared to that of (e)NMPCs utilizing models trained using system identification, and model-free neural network controllers trained using reinforcement learning. We show that the end-to-end trained models outperform those trained using system identification in (e)NMPC, and that, in contrast to the neural network controllers, the (e)NMPC controllers can react to changes in the control setting without retraining.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"190 ","pages":"Article 108824"},"PeriodicalIF":3.9,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0098135424002424/pdfft?md5=b8942e7813913b046ed7ab32d3f23e7e&pid=1-s2.0-S0098135424002424-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141938877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0