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Superstructure optimization with rigorous models via an exact reformulation
IF 3.9 2区 工程技术
Computers & Chemical Engineering Pub Date : 2024-12-12 DOI: 10.1016/j.compchemeng.2024.108972
Smitha Gopinath , Claire S. Adjiman
{"title":"Superstructure optimization with rigorous models via an exact reformulation","authors":"Smitha Gopinath ,&nbsp;Claire S. Adjiman","doi":"10.1016/j.compchemeng.2024.108972","DOIUrl":"10.1016/j.compchemeng.2024.108972","url":null,"abstract":"<div><div>The applicability of superstructure optimization to process synthesis is often limited to simple models and flowsheets. The state operator network (SON) (Smith and Pantelides, 1995) overcomes some limitations via a mixer–splitter network, allowing the use of rigorous unit models. However, setting flowrates to zero for non-selected units can result in numerical issues. Here, the modified state operator network (MSON), a new exact reformulation with modified mixers and splitters, is introduced. When a unit is deselected, a fictitious, strictly positive, mixer inlet flow ensures the unit model is easily solved. A corresponding fictitious splitter outlet counteracts this inlet, resulting in correct flowsheet behaviour. When applied to a toy flowsheet, the MSON outperforms standard formulations. When applied to the synthesis of a reactor–separator network and to a challenging counter-current column synthesis problem, the MSON offers a systematic and robust approach to superstructure optimization.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"194 ","pages":"Article 108972"},"PeriodicalIF":3.9,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136352","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
Simple control structure for stabilizing Core Annular Flow operation in heavy oil transportation
IF 3.9 2区 工程技术
Computers & Chemical Engineering Pub Date : 2024-12-12 DOI: 10.1016/j.compchemeng.2024.108978
Patrick Lima , Erbet Costa , Teófilo Paiva Guimarães Mendes , Leizer Schnitman , Sigurd Skogestad , Idelfonso Nogueira
{"title":"Simple control structure for stabilizing Core Annular Flow operation in heavy oil transportation","authors":"Patrick Lima ,&nbsp;Erbet Costa ,&nbsp;Teófilo Paiva Guimarães Mendes ,&nbsp;Leizer Schnitman ,&nbsp;Sigurd Skogestad ,&nbsp;Idelfonso Nogueira","doi":"10.1016/j.compchemeng.2024.108978","DOIUrl":"10.1016/j.compchemeng.2024.108978","url":null,"abstract":"<div><div>This research aims to develop a simple regulatory controller to control a Core Annular Flow (CAF) in the oil and gas industry, focusing on transporting heavy oils. CAF is an economical method to transport viscous crude oil where less viscous liquid, typically water, is used to lubricate the pipe walls, creating an annular flow regime. However, managing the stability of CAF is challenging due to geometric variations, changes in pipeline flow direction, and emulsion formation. We used computational fluid dynamics (CFD) simulations to represent the CAF system and subsequently designed a simple control structure for the process. This process involved conducting both open-loop and closed-loop tests. The findings from the study indicate that the I controller significantly improves the system's response to disturbances in oil velocity by adeptly adjusting water velocity. This adjustment is crucial for maintaining the desired oil fraction and sustaining an annular flow pattern. An important observation was the effectiveness of the proportional gain in tracking the setpoint within annular flow regimes and the enhanced system stability achieved by increasing the integral action. The study concludes that the PI controller stabilizes operations in previously challenging conditions and expands the system's operational range.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"194 ","pages":"Article 108978"},"PeriodicalIF":3.9,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136625","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
Multistage robust mixed-integer optimization for industrial demand response with interruptible load
IF 3.9 2区 工程技术
Computers & Chemical Engineering Pub Date : 2024-12-11 DOI: 10.1016/j.compchemeng.2024.108974
Jnana Sai Jagana , Satyajith Amaran , Qi Zhang
{"title":"Multistage robust mixed-integer optimization for industrial demand response with interruptible load","authors":"Jnana Sai Jagana ,&nbsp;Satyajith Amaran ,&nbsp;Qi Zhang","doi":"10.1016/j.compchemeng.2024.108974","DOIUrl":"10.1016/j.compchemeng.2024.108974","url":null,"abstract":"<div><div>Industrial demand response is an effective strategy for power-intensive manufacturing plants to reduce operating costs and in turn also contribute to the reliable operation of the power grid. Although industrial processes are increasingly participating in various demand response activities, the financially incentivized provision of interruptible load is still not well explored. This could be due to the uncertainty that, when providing interruptible load, one does not know in advance when load reduction will be requested. We apply an adjustable robust optimization approach to address this uncertainty in the production schedule of a continuous industrial process providing interruptible load. Piecewise linear decision rules, which can allow for both continuous and discrete recourse, are used to model the dependence of production decisions on the uncertain parameters. When applied to an industrial-scale compressor train case study, the proposed model achieves significant cost savings compared with a model that does not consider integer recourse.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"194 ","pages":"Article 108974"},"PeriodicalIF":3.9,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136637","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
Techno-economic and hybrid energy system analyses of hazelnut shell gasification based on geographical information system
IF 3.9 2区 工程技术
Computers & Chemical Engineering Pub Date : 2024-12-10 DOI: 10.1016/j.compchemeng.2024.108980
Yavuz Kirim , Ertuğrul Yıldız , Hasan Sadikoglu , Mehmet Melikoglu
{"title":"Techno-economic and hybrid energy system analyses of hazelnut shell gasification based on geographical information system","authors":"Yavuz Kirim ,&nbsp;Ertuğrul Yıldız ,&nbsp;Hasan Sadikoglu ,&nbsp;Mehmet Melikoglu","doi":"10.1016/j.compchemeng.2024.108980","DOIUrl":"10.1016/j.compchemeng.2024.108980","url":null,"abstract":"<div><div>In this study, electricity generation from hazelnut shells via gasification is studied in detail using Aspen Plus and economic analysis of the hazelnut gasification is thoroughly investigated. Novel to this study, hybrid energy generation potential of hazelnut shell gasification with different alternatives including PV are explored and H<sub>2</sub> production from hazelnut shell is simulated in Aspen Plus. Mass flow of main outlet products (CO and H<sub>2</sub>) is 1103.43 kg/hr and 81.62 kg/hr, respectively. GIS is used to define the optimum area for the proposed hazelnut shell gasification plant. The production of syngas obtained from Aspen Plus simulation is estimated as 21,286,234 Nm<sup>3</sup>/yr, NPC and IRR values of the proposed gasification plant using method of time value of money are calculated as $106,673 and 28 %, respectively. NPC and COE of hybrid renewable energy system including battery storage are calculated as $6.87 M and $0.715, respectively.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"194 ","pages":"Article 108980"},"PeriodicalIF":3.9,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136639","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
Topology-informed derivative-free metaheuristic optimization method
IF 3.9 2区 工程技术
Computers & Chemical Engineering Pub Date : 2024-12-05 DOI: 10.1016/j.compchemeng.2024.108973
Ching-Mei Wen, Marianthi Ierapetritou
{"title":"Topology-informed derivative-free metaheuristic optimization method","authors":"Ching-Mei Wen,&nbsp;Marianthi Ierapetritou","doi":"10.1016/j.compchemeng.2024.108973","DOIUrl":"10.1016/j.compchemeng.2024.108973","url":null,"abstract":"<div><div>In this study, we propose a novel topology-informed search strategy for derivative-free metaheuristic optimization, enhancing both Simulated Annealing (SA) and Particle Swarm Optimization (PSO) through Topology Data Analysis (TDA). The proposed methods utilize persistence diagram and Gaussian kernel density estimation to guide search processes effectively. For SA, TDA evaluates neighboring points to generate persistence diagrams, guiding the search towards regions with significant topological features. This approach balances exploration and exploitation, reducing the risk of converging to suboptimal solutions. In PSO, dynamic adjustment of social and cognitive coefficients based on feature density in persistence diagrams ensures robust convergence. This strategy guides particles toward the best positions, promoting early exploration and later convergence. Lastly, nine continuous non-linear numerical problems and a cost optimization problem in pharmaceutical manufacturing illustrate the feasibility of the proposed methods. The study highlights the potential of TDA-informed metaheuristic strategies to improve derivative-free optimization methods, offering an advancement in navigating complex optimization landscapes.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"194 ","pages":"Article 108973"},"PeriodicalIF":3.9,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136633","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
Comparative assessment of chloride family hydrogen production cycles driven by a nuclear-geothermal energy system
IF 3.9 2区 工程技术
Computers & Chemical Engineering Pub Date : 2024-12-04 DOI: 10.1016/j.compchemeng.2024.108967
Sulenur Asal , Adem Acir , Ibrahim Dincer
{"title":"Comparative assessment of chloride family hydrogen production cycles driven by a nuclear-geothermal energy system","authors":"Sulenur Asal ,&nbsp;Adem Acir ,&nbsp;Ibrahim Dincer","doi":"10.1016/j.compchemeng.2024.108967","DOIUrl":"10.1016/j.compchemeng.2024.108967","url":null,"abstract":"<div><div>In this present study, a nuclear geothermal hybrid system is designed and integrated three different chloride family hydrogen production cycles: cobalt-chloride, 3-step magnesium-chloride, and 4-step magnesium-chloride cycles. This study aims to investigate the integrated systems with the energy and exergy approaches employing the first and second laws of thermodynamics and compare the hydrogen production potentials of the cycles. The produced heat and electricity by nuclear geothermal hybrid system are employed in the hydrogen production cycles, remained heat and electricity are sent to the community for domestic usage. The nuclear geothermal hybrid system produces 1205.40 MW of heat and 578.56 MW of electricity. The hydrogen production amounts of the Co-Cl, 3- and 4-step Mg-Cl cycles are calculated as 0.27 kg/s, 1.09 kg/s and 0.97 kg/s, respectively. Consequently, the highest overall energy and exergy efficiencies are calculated to be 65.05 % and 88.27 % for the Co-Cl cycle driven by heat only. The integrated nuclear-geothermal hybrid also produces power as a useful output.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"194 ","pages":"Article 108967"},"PeriodicalIF":3.9,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136636","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-based process synthesis by phenomena-based building blocks and an MINLP framework featuring structural screening
IF 3.9 2区 工程技术
Computers & Chemical Engineering Pub Date : 2024-12-03 DOI: 10.1016/j.compchemeng.2024.108955
David Krone , Erik Esche , Mirko Skiborowski , Jens-Uwe Repke
{"title":"Optimization-based process synthesis by phenomena-based building blocks and an MINLP framework featuring structural screening","authors":"David Krone ,&nbsp;Erik Esche ,&nbsp;Mirko Skiborowski ,&nbsp;Jens-Uwe Repke","doi":"10.1016/j.compchemeng.2024.108955","DOIUrl":"10.1016/j.compchemeng.2024.108955","url":null,"abstract":"<div><div>An existing approach for optimization-based process synthesis with abstracted phenomena-based building blocks (PBB) is extended by implementing it into a novel MINLP framework with structural screening. Consistency across the multilayer MINLP framework is guaranteed by creating a MathML/XML data model and subsequently exporting the code to the different program parts. The novel framework focuses both on fidelity by implementing thermodynamically sound models and on generality by employing a state-space superstructure that spans a large search space. In order to retain tractability, we insert a structural screening layer which pre-screens based on binary decision variables of the superstructure by graph- and rule-based analyses, penalizing non-physical instances without solution of the underlying MINLP. The MINLP framework is successfully applied on two challenging synthesis tasks to determine the separation of the feed streams of benzene and toluene, as well as of n-pentane, n-hexane, and n-heptane utilizing superstructures with two, respectively four PBB.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"194 ","pages":"Article 108955"},"PeriodicalIF":3.9,"publicationDate":"2024-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136628","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
A call for a different plant modelling paradigm and a new generation of software
IF 3.9 2区 工程技术
Computers & Chemical Engineering Pub Date : 2024-12-03 DOI: 10.1016/j.compchemeng.2024.108970
Vladimir Mahalec
{"title":"A call for a different plant modelling paradigm and a new generation of software","authors":"Vladimir Mahalec","doi":"10.1016/j.compchemeng.2024.108970","DOIUrl":"10.1016/j.compchemeng.2024.108970","url":null,"abstract":"<div><div>This paper is an invitation to change the plant modeling paradigm to achieve much easier convergence and ensure model consistency between different incarnations of the plant model, while retaining accuracy on par with the rigorous models. Rigorous physical properties [property/mole] are replaced by [property/mass] approximation at local conditions, making bulk properties much less sensitive to changes in stream composition. This eliminates the need for stream mole fractions and stream compositions can be described by linear component mass flows. Detailed process flow diagram is a common topology for all models. Different incarnations of node models are employed at different levels of abstraction (planning, scheduling, optimization, control, design), ensuring inheritance, consistency and increasing accuracy of solutions as plant model instances move from mass to mass-energy, to mass-energy-and-approximate-stream-properties. After the plant model with approximate properties is solved, they are updated via rigorous thermodynamic methods and the plant model is resolved until convergence.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"194 ","pages":"Article 108970"},"PeriodicalIF":3.9,"publicationDate":"2024-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136638","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
Optimal continuous administration of drugs exhibiting tolerance: A modeling study for linear one compartment pharmacokinetics
IF 3.9 2区 工程技术
Computers & Chemical Engineering Pub Date : 2024-12-02 DOI: 10.1016/j.compchemeng.2024.108969
Ronald A. Siegel , Sichen Song , George Lyu
{"title":"Optimal continuous administration of drugs exhibiting tolerance: A modeling study for linear one compartment pharmacokinetics","authors":"Ronald A. Siegel ,&nbsp;Sichen Song ,&nbsp;George Lyu","doi":"10.1016/j.compchemeng.2024.108969","DOIUrl":"10.1016/j.compchemeng.2024.108969","url":null,"abstract":"<div><div>For many drugs exhibiting tolerance, it is not possible to maintain efficacy without intermittently halting administration, enabling the body to restore its sensitivity to the drug. Periodic delivery is thus called for. Here we calculate the optimal periodic delivery protocol to maintain efficacy for the largest fraction of time. Calculations are based on a model assuming that tolerance is due to the buildup of a noncompetitive antagonist. The optimal periodic control starts with a bolus of drug followed by a continuously increasing input rate, with input ultimately halted to allow washout of the antagonist. Variables to be optimized are size of the bolus, duration and “waveform” of the continuous input, and duration of the shutoff phase. This work, which assumes a “hard” threshold for drug efficacy, builds on previous papers in which a “fuzzy” threshold was used for computational convenience. Consequences of varying model parameters are explored.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"194 ","pages":"Article 108969"},"PeriodicalIF":3.9,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136634","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
A hybrid method for online monitoring of internals performance in distillation columns
IF 3.9 2区 工程技术
Computers & Chemical Engineering Pub Date : 2024-12-02 DOI: 10.1016/j.compchemeng.2024.108968
Yujie Hu , Runjie Yao , Lingyu Zhu , Lorenz T. Biegler , Xi Chen
{"title":"A hybrid method for online monitoring of internals performance in distillation columns","authors":"Yujie Hu ,&nbsp;Runjie Yao ,&nbsp;Lingyu Zhu ,&nbsp;Lorenz T. Biegler ,&nbsp;Xi Chen","doi":"10.1016/j.compchemeng.2024.108968","DOIUrl":"10.1016/j.compchemeng.2024.108968","url":null,"abstract":"<div><div>Distillation columns are widely used for separation in industry. To ensure separation stability, it is essential to online monitor the internals performance of a distillation column. The separation efficiency can be evaluated by estimation of Murphree Efficiency of the column. However, as the Murphree Efficiency is affected by both the internals and the tower operating states, it cannot be directly used to represent the internals performance until the influence of state variation influence is excluded. To address this problem, a hybrid method with both the mechanism-based and data-driven models is proposed in this work. Initially, steady-state segment is extracted through a wavelet transform. Then, a mechanism-based model is used to derive the <em>Real-time Murphree Efficiency</em> through parameter estimation and data reconciliation for the extracted steady-state segment. Next, an online and offline two-stage strategy is presented for internals performance detection. In the offline stage, a data-driven Bayesian regression model is developed to correlate the tower states and Murphree Efficiency by assuming stable performance of the internals. While in the online stage, an internal performance index is computed by comparing the <em>Expected Murphree Efficiency,</em> predicted by the Bayesian regression model, and the <em>Real-time Murphree Efficiency</em> developed by the mechanism-based model. Lastly, the proposed method is applied to a phenylenediamine distillation system with three columns, for which, degradation of the packing is effectively monitored.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"194 ","pages":"Article 108968"},"PeriodicalIF":3.9,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136590","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
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