Computers & Chemical Engineering最新文献_第9页

Decoupling framework for large-scale energy systems simultaneously addressing carbon emissions and energy flow relationships through sector units: A case study on uncertainty in China's carbon emission targets 大规模能源系统的解耦框架，通过部门单元同时处理碳排放和能源流关系：中国碳排放目标不确定性案例研究

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-08-22 DOI: 10.1016/j.compchemeng.2024.108840

Chenxi Li , Nilay Shah , Zheng Li , Pei Liu

{"title":"Decoupling framework for large-scale energy systems simultaneously addressing carbon emissions and energy flow relationships through sector units: A case study on uncertainty in China's carbon emission targets","authors":"Chenxi Li , Nilay Shah , Zheng Li , Pei Liu","doi":"10.1016/j.compchemeng.2024.108840","DOIUrl":"10.1016/j.compchemeng.2024.108840","url":null,"abstract":"<div><p>The energy system requires meticulous planning to achieve low-carbon development goals cost-effectively. However, optimizing large-scale energy systems with high spatial-temporal resolution and a rich variety of technologies has always been a challenge due to limited computational resources. Therefore, this study proposes a soft-linkage framework to deconstruct large-scale energy system optimization models based on sectors while ensuring the total carbon emission limit and the electricity supply-demand balance. Using China's energy system as a case study, the impact of uncertainty on emission reduction targets is analyzed. A long-term emission target curve is only described by the total carbon budget and its temporal distribution. Results show that different carbon budget time series can lead to total transition cost variations of up to nearly 100 trillion yuan. Moreover, although a lower carbon budget would increase the total cumulative transition cost quadratically, excessively high carbon budgets raise national natural gas demand, threatening energy security.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"191 ","pages":"Article 108840"},"PeriodicalIF":3.9,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142049599","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Modeling and optimization for the continuous catalytic reforming process based on the hybrid surrogate optimization model 基于混合代用优化模型的连续催化重整工艺建模与优化

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-08-22 DOI: 10.1016/j.compchemeng.2024.108841

Xiang C. Ma, Chang He, Qing L. Chen, Bing J. Zhang

{"title":"Modeling and optimization for the continuous catalytic reforming process based on the hybrid surrogate optimization model","authors":"Xiang C. Ma, Chang He, Qing L. Chen, Bing J. Zhang","doi":"10.1016/j.compchemeng.2024.108841","DOIUrl":"10.1016/j.compchemeng.2024.108841","url":null,"abstract":"<div><p>To address the modeling and optimization challenges of the complex reaction system in the continuous catalytic reforming process, a new integrated simulation and optimization framework is presented. First, a detailed mechanism model is established based on a reaction network involving 32 components and 50 reactions, coupled with mass transfer, heat transfer, pressure drop, and catalyst deactivation equations. Then, to solve the differential-algebraic equations in the mechanism model, a multi-objective hybrid optimization method with the adaptive infill strategy is introduced. GAMS and MATLAB are integrated to perform a joint iterative solution. Finally, two cases are conducted with the proposed algorithm. Results show that the mechanism model calculation deviations are below 4 % of reactor temperature, pressure, and composition distribution, and the Pareto front of various production plans is obtained. The accurate simulation and rapid trade-off optimization among the key goals can be achieved to provide scientific decision support for enterprise production.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"191 ","pages":"Article 108841"},"PeriodicalIF":3.9,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142058428","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Optimization of sustainable supply chain for bio-based isopropanol production from sugar beet using techno-economic and life cycle analysis 利用技术经济分析和生命周期分析优化以甜菜为原料生产生物基异丙醇的可持续供应链

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-08-22 DOI: 10.1016/j.compchemeng.2024.108836

Ching-Mei Wen, Marianthi Ierapetritou

{"title":"Optimization of sustainable supply chain for bio-based isopropanol production from sugar beet using techno-economic and life cycle analysis","authors":"Ching-Mei Wen, Marianthi Ierapetritou","doi":"10.1016/j.compchemeng.2024.108836","DOIUrl":"10.1016/j.compchemeng.2024.108836","url":null,"abstract":"<div><p>This study examines the techno-economic and life cycle analysis of bio-based isopropanol (IPA) production from sugar beet, utilizing a Geographical Information System (GIS)-enabled framework. By focusing on the innovative IPA production technology, the research demonstrates the economic and environmental feasibility of converting first-generation biomass into sustainable chemicals through the optimization of the Sugar Beet-to-Isopropanol supply chain. Findings highlight a cost-optimal production capacity of 55,800 mt/year with significant potential for reducing emissions and operational costs. The production cost of bio-IPA is potentially 70 % less than the fossil-derived IPA price. Additionally, the potential profits from bio-based IPA are estimated to be nearly double the market price of its primary raw material, sugar, demonstrating the economic feasibility of converting the first-generation biomass for sustainable IPA production. The study also explores the impact of facility clustering on transportation emissions and costs, revealing strategic approaches to expanding plant capacities in response to increasing demand. This research provides insights for designing sustainable industrial practices using first-generation biomass in the chemical industry.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"191 ","pages":"Article 108836"},"PeriodicalIF":3.9,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142075986","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

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