Computers & Chemical Engineering最新文献_第3页

Identification of sustainable carbon capture and utilization (CCU) pathways using state-task network representation 使用状态-任务网络表征的可持续碳捕获与利用(CCU)途径的识别

IF 4.3 2区工程技术

Computers & Chemical Engineering Pub Date : 2023-10-01 DOI: 10.1016/j.compchemeng.2023.108408

Wonsuk Chung , Sunwoo Kim , Ali S. Al-Hunaidy , Hasan Imran , Aqil Jamal , Jay H. Lee

{"title":"Identification of sustainable carbon capture and utilization (CCU) pathways using state-task network representation","authors":"Wonsuk Chung , Sunwoo Kim , Ali S. Al-Hunaidy , Hasan Imran , Aqil Jamal , Jay H. Lee","doi":"10.1016/j.compchemeng.2023.108408","DOIUrl":"10.1016/j.compchemeng.2023.108408","url":null,"abstract":"<div><p>Carbon capture and utilization (CCU) can be a pertinent solution to avoid millions of tons of carbon emission. The challenge is to identify, among numerous available options of carbon sources capture/utilization technologies, and products, the CCU pathways with best economic and/or CO<sub>2</sub> reduction potential. In this work, we propose a novel framework for identifying sustainable <em>CCU pathways</em><span>, i.e., combinations of sources, processes, and products, using a superstructure based on state-task network (STN) representation. STN allows incorporation of nonlinear models<span> including first-principles or surrogate models into the superstructure representation of potential CCU pathways. The proposed framework solves the superstructure optimization problem of mixed-integer nonlinear programming (MINLP) by introducing logic-based outer approximation (LOA), to reduce the computational time and improve the solvability greatly. A case study using a sizable CCU superstructure demonstrates that LOA can reduce the computational time from hours to minutes while identifying any sustainable pathway from a superstructure with highly nonlinear surrogate models.</span></span></p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"178 ","pages":"Article 108408"},"PeriodicalIF":4.3,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84933259","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

An MINLP formulation to identify thermodynamically-efficient distillation configurations 确定热力学有效蒸馏配置的MINLP公式

IF 4.3 2区工程技术

Computers & Chemical Engineering Pub Date : 2023-10-01 DOI: 10.1016/j.compchemeng.2023.108369

Radhakrishna Tumbalam Gooty , Tony Joseph Mathew , Mohit Tawarmalani , Rakesh Agrawal

引用次数: 2

Enhanced single-loop control of a moving bed temperature swing adsorption CO2 capture process 移动床变温吸附CO2捕集过程的增强单回路控制

IF 4.3 2区工程技术

Computers & Chemical Engineering Pub Date : 2023-10-01 DOI: 10.1016/j.compchemeng.2023.108387

Vidar T. Skjervold, Lars O. Nord

{"title":"Enhanced single-loop control of a moving bed temperature swing adsorption CO2 capture process","authors":"Vidar T. Skjervold, Lars O. Nord","doi":"10.1016/j.compchemeng.2023.108387","DOIUrl":"10.1016/j.compchemeng.2023.108387","url":null,"abstract":"<div><p>Using a model in gPROMS, we study a Zeolite 13X-based moving bed temperature swing adsorption (MBTSA) process designed to capture CO<sub>2</sub> from a coal-fired power plant. Two enhanced single-loop control strategies were compared to a proportional-integral configuration for variations in power plant load, control variable setpoints, flue gas CO<sub>2</sub> concentration and external heat source temperature. Measurement delays were also investigated. Adaptive adjustment of controller parameters with system load gave smoother and narrower manipulated variable profiles and efficient CO<sub>2</sub> recovery setpoint tracking. The controller gain is the most important parameter for adaptive tuning. A combined feedback and feedforward scheme showed improved control of the regenerated sorbent temperature, possibly due to better decoupling of the higher-level control loops. When delays were considered, the investigated strategies significantly outperformed the reference case for CO<sub>2</sub> recovery control. The results demonstrate that the MBTSA process can be efficiently controlled for several disturbances and changes in operation.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"178 ","pages":"Article 108387"},"PeriodicalIF":4.3,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0098135423002570/pdfft?md5=5a5a729889ea7a77a777033834edffb1&pid=1-s2.0-S0098135423002570-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73426240","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

Demand response scheduling of copper production under short-term electricity price uncertainty 短期电价不确定性下铜生产的需求响应调度

IF 4.3 2区工程技术

Computers & Chemical Engineering Pub Date : 2023-10-01 DOI: 10.1016/j.compchemeng.2023.108394

Sonja H.M. Germscheid , Fritz T.C. Röben , Han Sun , André Bardow , Alexander Mitsos , Manuel Dahmen

{"title":"Demand response scheduling of copper production under short-term electricity price uncertainty","authors":"Sonja H.M. Germscheid , Fritz T.C. Röben , Han Sun , André Bardow , Alexander Mitsos , Manuel Dahmen","doi":"10.1016/j.compchemeng.2023.108394","DOIUrl":"10.1016/j.compchemeng.2023.108394","url":null,"abstract":"<div><p>Marketing demand response of industrial processes on electricity spot markets can reduce operational cost. We apply our simultaneous day-ahead and intraday electricity market participation approach (Germscheid et al., AIChE J. 2022;68:e17828) to analyze the demand response potential of power-intensive copper production with our previously derived resource–task network model (Röben et al., J. CLEAN. PROD. 2022;362:132221). Specifically, we tackle intraday price uncertainty by stochastic scheduling optimization considering both risk-neutral and risk-averse market participation. Risk-averse participation allows for 1.9% weekly savings compared to only participating on the day-ahead market. Risk-neutral participation allows for 6.4% savings, but is connected to higher financial risks on weekends. Moreover, we show that load-shifting capabilities significantly depend on modeling on/off decisions either as first or second-stage integer decisions and that sequential day-ahead and intraday scheduling allows to participate in both markets while balancing financial risk, expected cost, and computational complexity compared to stochastic scheduling.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"178 ","pages":"Article 108394"},"PeriodicalIF":4.3,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78251041","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

Integrating information, financial, and material flows in a chemical supply chain 在化学品供应链中整合信息、资金和物质流

IF 4.3 2区工程技术

Computers & Chemical Engineering Pub Date : 2023-10-01 DOI: 10.1016/j.compchemeng.2023.108363

Hector D. Perez , Kyle C. Harshbarger , John M. Wassick , Ignacio E. Grossmann

引用次数: 0

CO2Fix: An approach to assess CO2 fixation potential of CCU reaction pathways CO2Fix:一种评估CCU反应途径CO2固定电位的方法

IF 4.3 2区工程技术

Computers & Chemical Engineering Pub Date : 2023-10-01 DOI: 10.1016/j.compchemeng.2023.108398

Gasim Ibrahim , Mohamed S. Challiwala , Hanif A. Choudhury , Guiyan Zang , Mahmoud M. El-Halwagi , Nimir O. Elbashir

{"title":"CO2Fix: An approach to assess CO2 fixation potential of CCU reaction pathways","authors":"Gasim Ibrahim , Mohamed S. Challiwala , Hanif A. Choudhury , Guiyan Zang , Mahmoud M. El-Halwagi , Nimir O. Elbashir","doi":"10.1016/j.compchemeng.2023.108398","DOIUrl":"10.1016/j.compchemeng.2023.108398","url":null,"abstract":"<div><p>In this work we present a simple, yet powerful, metric for estimating the potential of a CCU reaction pathway to fix CO<sub>2</sub>. The CO2Fix metric is determined by using a model that accounts for various process variables and parameters that influence the ability of the reaction to convert CO<sub>2</sub> in addition to its propensity to produce CO<sub>2</sub> through the energy requirements of the process. The CO2Fix metric in this work accounts only for the direct CO<sub>2</sub> emissions and indirect CO<sub>2</sub> emissions related to the reaction portion of a CCU process. We demonstrate the use of the model to estimate the CO2Fix in two case studies representing common CCU reactions: dry reforming of methane (DRM) and CO<sub>2</sub> hydrogenation to methanol. When using natural gas-powered energy, and under the same process assumptions, the CO2Fix was estimated to be 1.1 and 3.9 for the DRM and CO<sub>2</sub> hydrogenation reactions respectively.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"178 ","pages":"Article 108398"},"PeriodicalIF":4.3,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0098135423002685/pdfft?md5=006b8565680af50c4413b3434b178ed0&pid=1-s2.0-S0098135423002685-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77159918","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

Tracking model predictive control and moving horizon estimation design of distributed parameter pipeline systems 分布参数管道系统的跟踪模型、预测控制及移动水平估计设计

IF 4.3 2区工程技术

Computers & Chemical Engineering Pub Date : 2023-10-01 DOI: 10.1016/j.compchemeng.2023.108381

Lu Zhang, Junyao Xie, Stevan Dubljevic

{"title":"Tracking model predictive control and moving horizon estimation design of distributed parameter pipeline systems","authors":"Lu Zhang, Junyao Xie, Stevan Dubljevic","doi":"10.1016/j.compchemeng.2023.108381","DOIUrl":"10.1016/j.compchemeng.2023.108381","url":null,"abstract":"<div><p>This manuscript proposes moving horizon control and state/parameter estimation designs for pipeline networks modelled by partial differential equations (PDEs) with boundary actuation. The spatial–temporal pressure and velocity dynamics within the pipelines are described by a system of six coupled one-dimensional first-order nonlinear hyperbolic PDEs. To address the discrete-time modelling challenge and preserve the infinite-dimensional nature of the pipeline system, the Cayley–Tustin transformation is deployed for model time discretization without any spatial discretization or model reduction. Considering the lack of full state information across the entire pipeline manifold, unknown states and uncertain parameters are estimated using moving horizon estimation (MHE). Based on the estimated states and parameters, a tracking model predictive control (MPC) strategy for the discrete-time infinite-dimensional pipeline system is proposed, which enables specific operation while ensuring physical constraint satisfaction. The effectiveness of the proposed controller and estimator designs is demonstrated via numerical examples.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"178 ","pages":"Article 108381"},"PeriodicalIF":4.3,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S009813542300251X/pdfft?md5=9e305fb5afc7c08f13e8bcb568b7922e&pid=1-s2.0-S009813542300251X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84200037","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

Applications of the Dulmage–Mendelsohn decomposition for debugging nonlinear optimization problems Dulmage-Mendelsohn分解在非线性优化问题调试中的应用

IF 4.3 2区工程技术

Computers & Chemical Engineering Pub Date : 2023-10-01 DOI: 10.1016/j.compchemeng.2023.108383

Robert B. Parker , Bethany L. Nicholson , John D. Siirola , Lorenz T. Biegler

{"title":"Applications of the Dulmage–Mendelsohn decomposition for debugging nonlinear optimization problems","authors":"Robert B. Parker , Bethany L. Nicholson , John D. Siirola , Lorenz T. Biegler","doi":"10.1016/j.compchemeng.2023.108383","DOIUrl":"10.1016/j.compchemeng.2023.108383","url":null,"abstract":"<div><p>Nonlinear modeling and optimization is a valuable tool for aiding decisions by engineering practitioners, but programming an optimization problem based on a complex electrical, mechanical, or chemical process is a time-consuming and error-prone activity. Therefore, there is a need for model analysis and debugging tools that can detect and diagnose modeling errors. One such tool is the Dulmage–Mendelsohn decomposition, which identifies structurally under- and over-determined subsets in systems of equations and variables by partitioning the bipartite graph of the system. This work provides the necessary background to understand the Dulmage–Mendelsohn decomposition and its application to the analysis of nonlinear optimization problems, demonstrates its use in diagnosing a variety of modeling errors, and introduces software implementations for analyzing nonlinear optimization problems in the Pyomo and JuMP algebraic modeling languages.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"178 ","pages":"Article 108383"},"PeriodicalIF":4.3,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0098135423002533/pdfft?md5=70482ea65352ca08254c413f5b3da9f2&pid=1-s2.0-S0098135423002533-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77794068","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: 1

Data-based design of multi-model inferential sensors 基于数据的多模型推理传感器设计

IF 4.3 2区工程技术

Computers & Chemical Engineering Pub Date : 2023-10-01 DOI: 10.1016/j.compchemeng.2023.108379

Martin Mojto , Karol Ľubušký , Miroslav Fikar , Radoslav Paulen

引用次数: 0

Automatic decomposition of large-scale industrial processes for distributed MPC on the Shell–Yokogawa Platform for Advanced Control and Estimation (PACE) 壳牌-横河高级控制与评估平台（PACE）上分布式MPC大规模工业过程的自动分解

IF 4.3 2区工程技术

Computers & Chemical Engineering Pub Date : 2023-10-01 DOI: 10.1016/j.compchemeng.2023.108382

Wentao Tang , Pierre Carrette , Yongsong Cai , John M. Williamson , Prodromos Daoutidis

{"title":"Automatic decomposition of large-scale industrial processes for distributed MPC on the Shell–Yokogawa Platform for Advanced Control and Estimation (PACE)","authors":"Wentao Tang , Pierre Carrette , Yongsong Cai , John M. Williamson , Prodromos Daoutidis","doi":"10.1016/j.compchemeng.2023.108382","DOIUrl":"https://doi.org/10.1016/j.compchemeng.2023.108382","url":null,"abstract":"<div><p><span>The kernel of industrial advanced process control (APC) lies in the formulation and solution of model predictive control<span> (MPC) problems, which specify the controller moves according to the solution of an optimal control problem at each sampling time. A significant challenge is the online computation for large-scale industrial systems. As the state-of-the-art APC technology, the Shell–Yokogawa Platform for Advanced Control and Estimation (PACE) has adopted a systematic framework of handling dynamic optimization of large-scale systems, where an automatic decomposition procedure generates subsystems for distributed MPC. The decomposition is implemented on network representations of the MPC models that capture interactions among process variables, with community detection used to maximize the statistical significance of the </span></span>subnetworks<span> with preferred internal interconnections. This paper introduces the fundamentals of such a decomposition approach and this functionality in PACE, followed by a case study on a crude distillation process to showcase its industrial application.</span></p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"178 ","pages":"Article 108382"},"PeriodicalIF":4.3,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72248497","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: 3