Computers & Chemical Engineering最新文献_第4页

Rapid design of combination antimicrobial therapy against Acinetobacter baumannii 快速设计针对鲍曼不动杆菌的联合抗菌疗法

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-09-24 DOI: 10.1016/j.compchemeng.2024.108884

Brianna M. Eales , James Smith , Nazanin Pouya , Cole S. Hudson , Vincent H. Tam , Michael Nikolaou

{"title":"Rapid design of combination antimicrobial therapy against Acinetobacter baumannii","authors":"Brianna M. Eales , James Smith , Nazanin Pouya , Cole S. Hudson , Vincent H. Tam , Michael Nikolaou","doi":"10.1016/j.compchemeng.2024.108884","DOIUrl":"10.1016/j.compchemeng.2024.108884","url":null,"abstract":"<div><div>Treatment of serious bacterial infections with antimicrobial agents, such as antibiotics, is a major clinical challenge, because of growing bacterial resistance to multiple agents. Combination therapy (i.e. combined dosing of more than one agent) is often used for the purpose, but its systematic design remains a challenge. To address this, we recently reported a method to mathematically model bacterial response to antimicrobial agents, and to use this model for systematic design of clinically relevant combination therapy. The method relies on (a) longitudinal data of bacterial load, estimated from optical density measurements during time-kill experiments in an automated instrument, and (b) use of these data to fit a mathematical model for combination therapy design. In this work, we studied an application of the proposed method to (a) an important bacterial pathogen (<em>Acinetobacter baumannii</em>) and (b) two cases of antibiotic combinations (ceftazidime / amikacin and ceftazidime / avibactam) in synchronous and asynchronous dosing, not otherwise studied to date. Following the proposed method, optical density based data of bacterial load under antibiotic exposure for 20 h were used to calibrate the mathematical model and subsequently predict outcomes of various dosing regimens with clinically relevant pharmacokinetics. Representative predictions by the mathematical model were tested <em>in vitro</em> in a hollow fiber infection model over 120 h. Test outcomes validated these predictions. Collectively, this study both provides guidance for design of <em>A. baumannii</em> infection treatments with the agents studied and underscores the broader applicability of the proposed method for design of clinically relevant combination therapy.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"192 ","pages":"Article 108884"},"PeriodicalIF":3.9,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142356699","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 tray-by-tray method for the conceptual design of dividing wall columns 分隔墙柱概念设计的逐盘方法

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-09-21 DOI: 10.1016/j.compchemeng.2024.108875

Manuel Gómez-Ochoa, Arturo Jiménez-Gutiérrez

引用次数: 0

Integrated risk management and maintenance planning in Oil and Gas Supply Chain operations under market uncertainty 市场不确定情况下石油和天然气供应链运营的综合风险管理和维护规划

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-09-20 DOI: 10.1016/j.compchemeng.2024.108879

Ahmed M. Attia

{"title":"Integrated risk management and maintenance planning in Oil and Gas Supply Chain operations under market uncertainty","authors":"Ahmed M. Attia","doi":"10.1016/j.compchemeng.2024.108879","DOIUrl":"10.1016/j.compchemeng.2024.108879","url":null,"abstract":"<div><div>The Oil and Gas Supply Chain (OGSC) is a multifaceted network comprising diverse activities and echelons. Instability or interruptions can cause economic fluctuations, impacting industries, markets, and consumers. Maintenance activities, which pause production but extend facilities' life, are recommended during non-peak demand periods to avoid production losses and meet customer demand. To mitigate these effects, decisions on operations planning, maintenance scheduling, and maintenance team assignments should be optimized in a risk management framework. The proposed model adopts a mixed-integer linear programming (MILP) framework and is solved via a sequential approach that incorporates the relax-and-fix (RF) heuristic in order to find a solution that is close to optimal. Subsequently, the solution serves as an initial solution for the CPLEX solver, which employs a branch-and-cut algorithm to attain the exact optimal solution. The practicality of this model has been showcased through its application to the supply chain in Saudi Arabia. The model efficiently schedules maintenance activities evenly and consistently across the OGSC plants over the planning period to reduce lost sales by keeping plants operational during high-demand periods. Furthermore, a sensitivity analysis was conducted to investigate the influence of the decision-maker's risk attitude on the outcomes that were obtained.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"192 ","pages":"Article 108879"},"PeriodicalIF":3.9,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142322629","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 comprehensive modeling, analysis, and optimization of two phase, non–isobaric, and non–isothermal PEM fuel cell 两相、非等压和非等温 PEM 燃料电池的全面建模、分析和优化

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-09-20 DOI: 10.1016/j.compchemeng.2024.108881

Hui Lv, Jiaxun You, Junlei Wang, Yafei Wang

{"title":"A comprehensive modeling, analysis, and optimization of two phase, non–isobaric, and non–isothermal PEM fuel cell","authors":"Hui Lv, Jiaxun You, Junlei Wang, Yafei Wang","doi":"10.1016/j.compchemeng.2024.108881","DOIUrl":"10.1016/j.compchemeng.2024.108881","url":null,"abstract":"<div><div>This study models a non-isobaric, non-isothermal two-phase flow in a Polymer Electrolyte Membrane Fuel Cell (PEM-FC), focusing on conservation equations for mass, energy, and momentum across its components. Verification involves comparing PEM-FC performance and temperature distribution with experimental and literature data, showing consistent agreements. Results indicate that increasing cathode channel pressure enhances membrane moisture and reduces power loss. Higher oxygen partial pressure improves PEM-FC performance, whereas increased anode channel pressure heightens ohmic losses and lowers output voltage. Temperature distribution reveals highest temperatures near the cathode catalyst layer due to electrochemical reactions. Adjusting pressures in cathode and anode channels affects these temperatures accordingly. PEM-FC power density is optimized using various algorithms, with simulated annealing proving most effective. Optimal values for gas diffusion layer thickness, electrode porosity, and inlet humidity are determined. Under constant current density, power density increases by 6 % compared to baseline conditions, demonstrating effective parameter optimization for enhancing PEM-FC performance.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"192 ","pages":"Article 108881"},"PeriodicalIF":3.9,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0098135424002990/pdfft?md5=3bf8a3330162afa1d0159d6aae973f94&pid=1-s2.0-S0098135424002990-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142311692","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

Scale up analysis of a plasmon-enhanced ethylene oxide production process 等离子体增强环氧乙烷生产工艺的放大分析

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-09-20 DOI: 10.1016/j.compchemeng.2024.108873

Raymond A. Adomaitis

{"title":"Scale up analysis of a plasmon-enhanced ethylene oxide production process","authors":"Raymond A. Adomaitis","doi":"10.1016/j.compchemeng.2024.108873","DOIUrl":"10.1016/j.compchemeng.2024.108873","url":null,"abstract":"<div><div>Geometric modeling of hourly solar irradiance combined with Markov chain descriptions of cloud cover dynamics is shown to be an effective tool for the design and analysis of solar-assisted catalytic processes. A key finding of this study is that because of the large area needed to collect incoming irradiation, even at modest reactor operating temperatures, radiative thermal losses can greatly exceed the incoming solar irradiance — for the ethylene oxide process of this study, the most significant source of thermal power was found to be that released by the competing exothermic ethylene oxidation reaction. The net result of the radiative losses is that a fixed Earth-tangent solar chemical reactor, under representative annual weather and irradiance conditions, can only operate in the hours surrounding solar noon and would be idle on days between the fall and spring equinoxes. It is further shown that if a sun-tracking reactor configuration is used, the thermodynamic feasibility of the process improves considerably, even with no irradiance concentration. Significant gains are found for modest levels of solar irradiance concentration; however, while the illuminated catalyst surface area will decrease with increasing irradiance concentration for fixed production levels, the projected area of the concentrating system also will increase proportionally, offsetting the reactor performance gains.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"192 ","pages":"Article 108873"},"PeriodicalIF":3.9,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0098135424002916/pdfft?md5=5ec4ef22ec024b3272d7ae2761d82ed4&pid=1-s2.0-S0098135424002916-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142311693","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 MILP-based approach to address the production and distribution planning of large industrial gas supply chains 用基于 MILP 的方法解决大型工业气体供应链的生产和配送规划问题

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-09-19 DOI: 10.1016/j.compchemeng.2024.108874

Sergio G. Bonino , Luis J. Zeballos , Akash Moolya , José M. Laínez-Aguirre , Jose M. Pinto , Ignacio E. Grossmann , Carlos A. Méndez

{"title":"A MILP-based approach to address the production and distribution planning of large industrial gas supply chains","authors":"Sergio G. Bonino , Luis J. Zeballos , Akash Moolya , José M. Laínez-Aguirre , Jose M. Pinto , Ignacio E. Grossmann , Carlos A. Méndez","doi":"10.1016/j.compchemeng.2024.108874","DOIUrl":"10.1016/j.compchemeng.2024.108874","url":null,"abstract":"<div><div>This paper focuses on addressing the Production Routing Problem (PRP) of industrial gas supply chains (SC). The work introduces a Mixed-Integer Linear Programming (MILP) based approach to effectively tackle this challenging problem. The proposed framework aims to increase company profits by optimizing both production and distribution activities simultaneously. For the distribution part, a route generation algorithm is employed to initially generate a set of feasible routes, ensuring that only routes with practical significance are considered. Subsequently, the mathematical model is developed considering only the set of routes generated. The formulation includes decisions associated with plants production levels, plant selection to supply the different consumers, clients to be visited per trip and day, quantity to be delivered and routes to be used. As part of the problem, it is considered that trucks can make several trips per day, as well as trips of several days. To take into account the last feature, the approach accounts for the explicit effect of the lead time on production and distribution decisions. In this way, the work allows for different delivery times for customers included in the same route, according to their inventories and usage levels. The model considers fleet unavailability until they return to the plants after finishing a trip. Finally, two case studies, one motivating and the other industrial size, are presented and solved. The results obtained demonstrate the effectiveness of the proposed approach to solve the case studies in reasonable CPU times.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"192 ","pages":"Article 108874"},"PeriodicalIF":3.9,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142356818","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

Enhancing fault detection in multivariate industrial processes: Kolmogorov–Smirnov non-parametric statistical approach 加强多元工业流程中的故障检测：Kolmogorov-Smirnov 非参数统计方法

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-09-19 DOI: 10.1016/j.compchemeng.2024.108876

K. Ramakrishna Kini , Fouzi Harrou , Muddu Madakyaru , Ying Sun

{"title":"Enhancing fault detection in multivariate industrial processes: Kolmogorov–Smirnov non-parametric statistical approach","authors":"K. Ramakrishna Kini , Fouzi Harrou , Muddu Madakyaru , Ying Sun","doi":"10.1016/j.compchemeng.2024.108876","DOIUrl":"10.1016/j.compchemeng.2024.108876","url":null,"abstract":"<div><p>The accurate detection of abnormal events in modern process plants is extremely important. The detection of faults of small magnitude and in a noisy process environment is still a challenge that many industries face. In this paper, a Kolmogorov–Smirnov (KS) based non-parametric statistical fault indicator is proposed to identify a variety of sensor faults in process plants. The data collected from most modern process plants are randomly varying and non-Gaussian, due to which the multivariate scheme based on Independent Component Analysis (ICA) is considered. The KS-based indicator is amalgamated with the ICA multivariate model, which yields a novel ICA-KS-based fault detection (FD) scheme. The KS statistical indicator compares any two distributions and checks if they are similar or dissimilar. The potential of the KS indicator is extended in the FD domain, where the residuals of training and testing data are compared in a sliding window. The ability of the proposed ICA-KS-based FD strategy is validated on a simulated Distillation column (DC) process and the benchmark Tennessee Eastman (TE) process to identify a variety of sensor faults. The simulation results demonstrate the effectiveness of the detection performance of the ICA-KS scheme, which outperforms conventional FD-based methods with a high detection rate.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"192 ","pages":"Article 108876"},"PeriodicalIF":3.9,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0098135424002941/pdfft?md5=9e710fe83fcbbe56ec4cca64461ee4ab&pid=1-s2.0-S0098135424002941-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142274239","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

Process monitoring method based on vine copula and transfer learning strategy 基于藤蔓协程和迁移学习策略的过程监控方法

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-09-18 DOI: 10.1016/j.compchemeng.2024.108882

Yifan Zhang, Shaojun Li

{"title":"Process monitoring method based on vine copula and transfer learning strategy","authors":"Yifan Zhang, Shaojun Li","doi":"10.1016/j.compchemeng.2024.108882","DOIUrl":"10.1016/j.compchemeng.2024.108882","url":null,"abstract":"<div><div>In practical industrial processes, the limited sampling time and other factors result in a scarcity of historical data for certain modes, leading to diminished generalization and accuracy of process monitoring models. To solve this problem, a process monitoring method based on vine copula-based dependence description (VCDD) and transfer learning strategy (TLVCDD) is proposed in this study. The proposed method constructs a VCDD model by utilizing target domain data and subsequently selects suitable candidate sample groups from the abundant source domain data based on this model. Candidate sample groups are transferred sequentially according to their priorities, which are quantified based on the maximum mean discrepancies between candidate sample groups and the target domain data. The VCDD model exhibiting the most superior overall performance during the transfer process is chosen and employed for online process monitoring. The effectiveness of the proposed method is demonstrated through a numerical example and Tennessee Eastman (TE) process.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"192 ","pages":"Article 108882"},"PeriodicalIF":3.9,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0098135424003004/pdfft?md5=fa5c9e3a4ddfcedbd29fe6ffb4b5b6b7&pid=1-s2.0-S0098135424003004-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142315274","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

Model-based fault detection algorithm for liquid hydrogen refueling system using CUSUM method 使用 CUSUM 方法基于模型的液氢加注系统故障检测算法

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-09-18 DOI: 10.1016/j.compchemeng.2024.108878

Gyeonggwan Jeon, Yeonsoo Kim

{"title":"Model-based fault detection algorithm for liquid hydrogen refueling system using CUSUM method","authors":"Gyeonggwan Jeon, Yeonsoo Kim","doi":"10.1016/j.compchemeng.2024.108878","DOIUrl":"10.1016/j.compchemeng.2024.108878","url":null,"abstract":"<div><div>The global focus on the role of hydrogen energy in achieving carbon neutrality is increasing, particularly in transportation. Establishing and operating hydrogen refueling stations for fuel cell electric vehicles (FCEVs) are gaining prominence. This study proposes a model-based fault detection algorithm to enhance safety at large-capacity liquid hydrogen (LH2) refueling stations. First, the LH2 refueling system is modeled using Aspen HYSYS, estimating the heat transfer coefficient of the storage tank to meet the normal evaporation rate (NER) specification of 0.9 % per day. Second, diverse fault scenarios are identified via a Hazard and Operability Study (HAZOP), and simulation data are generated for the normal and fault scenarios. Finally, a fault detection algorithm utilizing the cumulative summation (CUSUM) is developed, with its threshold determined by risk levels analyzed in HAZOP. This allowed for tighter fault detection as risk levels increased. The algorithm successfully identified faults for all 11 scenarios.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"192 ","pages":"Article 108878"},"PeriodicalIF":3.9,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0098135424002965/pdfft?md5=2178f054d330b9b4e1ab1839dcc99ad0&pid=1-s2.0-S0098135424002965-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142311688","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

Artificial intelligence-driven control for enhancing carbon dioxide-based wastewater pH regulation in tubular reactor 人工智能驱动控制，加强管式反应器中基于二氧化碳的废水 pH 值调节

IF 3.9 2区工程技术

Computers & Chemical Engineering Pub Date : 2024-09-17 DOI: 10.1016/j.compchemeng.2024.108880

Santi Bardeeniz , Chanin Panjapornpon , Wongsakorn Hounkim , Tanawadee Dechakupt , Atthasit Tawai

{"title":"Artificial intelligence-driven control for enhancing carbon dioxide-based wastewater pH regulation in tubular reactor","authors":"Santi Bardeeniz , Chanin Panjapornpon , Wongsakorn Hounkim , Tanawadee Dechakupt , Atthasit Tawai","doi":"10.1016/j.compchemeng.2024.108880","DOIUrl":"10.1016/j.compchemeng.2024.108880","url":null,"abstract":"<div><p>Alkaline wastewater treatment using carbon dioxide can reduce chemical costs and provide a safer alternative to traditional methods. However, complex gas-liquid reactions and narrow operating pH ranges present challenges. This research develops an artificial intelligence-driven control system for treating alkaline wastewater using carbon dioxide in a bench-scale tubular reactor. The proposed control system employs an inverse neural network to regulate the carbon dioxide gas based on the desired setpoint, along with a Smith predictor and a linear controller to compensate for natural delays, model mismatches, and pH disturbances. The inverse neural controller was trained using experimental data from a bench-scale reactor pH treatment of synthetic alkaline wastewater and verified on real influent from an electroplating wastewater treatment plant. The results show that the proposed method efficiently enforces the desired reactor outlet pH setpoint with up to 51.36% faster settling time than a proportional-integral controller while improving pH-adjusting efficiency by 72.24%.</p></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"192 ","pages":"Article 108880"},"PeriodicalIF":3.9,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0098135424002989/pdfft?md5=5cb2369357521d26493300c0a7ab4b44&pid=1-s2.0-S0098135424002989-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142274241","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