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Predicting biohydrogen production from dark fermentation of organic waste biomass using multilayer perceptron artificial neural network (MLP–ANN) 利用多层感知器人工神经网络(MLP-ANN)预测有机废物生物质暗发酵产生的生物氢
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-10-20 DOI: 10.1016/j.compchemeng.2024.108900
Ibrahim Shomope , Muhammad Tawalbeh , Amani Al-Othman , Fares Almomani
The focus on sustainable energy has increased interest in biohydrogen production through dark fermentation of organic waste biomass, offering dual benefits of energy production and waste management. Optimizing this process is challenging due to complex interactions among substrate composition, microbial consortia, and fermentation parameters. A multilayer perceptron artificial neural network model was developed to predict biohydrogen yield from organic waste. The model, trained on 180 data points from 35 studies, uses inputs, such as substrate type, inoculum type, concentration, pH, and temperature, with hydrogen yield as the output. The multilayer perceptron artificial neural network model achieved high accuracy, with a root mean square error of 0.3838, a mean absolute percentage error of 0.1938, and a coefficient of determination of 0.8381. These results demonstrate the model's effectiveness in predicting biohydrogen production, providing a valuable tool for optimizing the fermentation process and advancing sustainable energy solutions.
对可持续能源的关注增加了人们对通过有机废物生物质暗发酵生产生物氢的兴趣,这种方法具有能源生产和废物管理的双重优势。由于基质成分、微生物群和发酵参数之间存在复杂的相互作用,优化这一过程具有挑战性。我们开发了一个多层感知器人工神经网络模型来预测有机废物的生物氢产量。该模型根据 35 项研究的 180 个数据点进行训练,使用基质类型、接种物类型、浓度、pH 值和温度等输入,以产氢量作为输出。多层感知器人工神经网络模型的准确度很高,均方根误差为 0.3838,平均绝对百分比误差为 0.1938,决定系数为 0.8381。这些结果证明了该模型在预测生物制氢方面的有效性,为优化发酵过程和推进可持续能源解决方案提供了宝贵的工具。
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引用次数: 0
Integrating different fidelity models for process optimization: A case of equilibrium and rate-based extractive distillation using ionic liquids 整合不同保真度模型,实现工艺优化:使用离子液体进行基于平衡和速率的萃取蒸馏案例
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-10-18 DOI: 10.1016/j.compchemeng.2024.108890
Ashfaq Iftakher , Ty Leonard , M.M. Faruque Hasan
We integrate equilibrium and rate-based models to formulate a hybrid optimization scheme for designing an ionic liquid-based extractive distillation process for mixed-refrigerant separation. The equilibrium model assumes vapor–liquid equilibrium at each stage but challenges arise with low-volatility, high-viscosity solvents, which drive the system away from equilibrium. The rate-based approach considers mass and heat transfer rates, giving more accurate representation. We compare the two models for separating R-410A, an azeotropic mixture of R-32 and R-125, using [EMIM][SCN] ionic liquid as entrainer. Analyzing over 4300 simulations with various dimensionality reduction and topological analysis techniques, we find that predictions from the two models exhibit similar trends, but the overestimation in equilibrium-based purities sometimes leads to infeasible process designs. The proposed optimization algorithm thus combines the strengths of the two models to locate feasible and optimal designs.
我们整合了平衡模型和基于速率的模型,制定了一种混合优化方案,用于设计基于离子液体的萃取蒸馏工艺,以实现混合制冷剂分离。平衡模型假定每个阶段都达到汽液平衡,但低挥发性、高粘度溶剂会导致系统偏离平衡状态。基于速率的方法考虑了质量和热量的传递速率,能够提供更准确的表述。我们比较了使用[EMIM][SCN]离子液体作为夹带剂分离 R-32 和 R-125 共沸混合物 R-410A 的两种模型。通过使用各种降维和拓扑分析技术对 4300 多次模拟进行分析,我们发现两种模型的预测结果呈现出相似的趋势,但基于平衡纯度的高估有时会导致工艺设计不可行。因此,我们提出的优化算法结合了两种模型的优势,以找到可行的最优设计。
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引用次数: 0
Two degrees of freedom control of a multistage power-to-methanol reactor 多级动力甲醇反应器的双自由度控制
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-10-17 DOI: 10.1016/j.compchemeng.2024.108893
Tobias Keßler , Christoph Plate , Jessica Behrens , Carl J. Martensen , Johannes Leipold , Lothar Kaps , Andreas Seidel-Morgenstern , Sebastian Sager , Achim Kienle
Power-to-methanol processes use green hydrogen, which is generated by electrolysis using regenerative energy, e.g. wind or solar energy. In this paper a novel control concept is proposed to handle fluctuations in the hydrogen feed due to unavoidable fluctuations in the energy supply. Focus is on a robust multistage reactor, with variable feed distribution as additional degrees of freedom. The controller uses dynamic optimization with a hybrid model for feedforward control of the feed distribution and simple PI control of the total carbon feed to compensate plant model mismatch and unforeseen disturbances. The hybrid model combines modeling from first principles with a neural network to capture the influence of catalyst dynamics on the reaction rates. The concept is validated with a simulation study using a detailed reference model.
电能转化甲醇工艺使用绿色氢气,这种氢气是利用风能或太阳能等可再生能源通过电解产生的。本文提出了一种新颖的控制概念,用于处理因能源供应不可避免的波动而导致的氢气进料波动。重点是稳健的多级反应器,将可变进料分布作为额外的自由度。控制器采用动态优化和混合模型对进料分布进行前馈控制,并对总碳进料进行简单的 PI 控制,以补偿工厂模型不匹配和不可预见的干扰。混合模型将第一原理建模与神经网络相结合,以捕捉催化剂动态对反应速率的影响。利用详细的参考模型进行的模拟研究验证了这一概念。
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引用次数: 0
Maritime inventory routing with speed optimization: A MIQCP formulation for a tanker fleet servicing FPSO units 海运库存路由速度优化:为浮式生产储油装置提供服务的油轮船队的 MIQCP 方案
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-10-15 DOI: 10.1016/j.compchemeng.2024.108889
Pedro M. Castro
This paper presents a continuous-time formulation for the management of deep-sea floating production storage and offloading (FPSO) units, which process and store crude oil from nearby oil platforms while waiting for a shuttle tanker to arrive and collect it. A heterogeneous fleet of tanker vessels travelling between the FPSO units and a port refinery is available, with the optimization deciding on the number and type of vessels to use, their route and travelling speed. The goal is to achieve an environmentally friendly solution featuring vessels travelling at lower speeds to minimize fuel consumption (a quadratic function of speed), which may require renting additional shuttle tankers to maintain production. The resulting mixed-integer quadratically constrained problems (MIQCP) can be solved by GUROBI, but not to global optimality, whereas a mixed-integer linear programming (MILP) relaxation that underestimates the total operating cost can tackle moderate problem sizes (5 FPSOs and 4 shuttle tankers).
深海浮式生产储油卸油船(FPSO)装置在等待穿梭油轮到达并收集原油的同时,还处理和储存来自附近石油平台的原油。在 FPSO 装置和港口炼油厂之间有一支由不同类型的油轮组成的船队,通过优化来决定使用船只的数量和类型、航线和行驶速度。目标是实现一种环保的解决方案,即船舶以较低的速度行驶,以尽量减少燃料消耗(速度的二次函数),这可能需要租用额外的穿梭油轮来维持生产。GUROBI 可以解决由此产生的混合整数二次约束问题 (MIQCP),但不能达到全局最优,而低估总运营成本的混合整数线性规划 (MILP) 放松方法可以解决中等规模的问题(5 艘浮式生产储油轮和 4 艘穿梭油轮)。
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引用次数: 0
Accurate key parameters estimation of PEM fuel cells using self-adaptive bonobo optimizer 利用自适应 bonobo 优化器精确估算 PEM 燃料电池的关键参数
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-10-11 DOI: 10.1016/j.compchemeng.2024.108894
Ahmed Zouhir Kouache, Ahmed Djafour, Mohammed Bilal Danoune, Khaled Mohammed Said Benzaoui, Abdelmoumen Gougui
The present study introduces an efficient Self-Adaptive Bonobo Optimizer (SaBO) for identifying the unknown parameters of the proton exchange membrane fuel cell (PEMFC). A comparative analysis between recent robust approaches, such as Gradient-based Optimizer (GBO), Bald Eagle Search Algorithm, and Rime-Ice algorithm (RIME), has been introduced. The basic concept is to minimize the mean bias error between the measured and predicted stack voltage. The main results show that although the techniques were close, in contrast, the SaBO optimizer provides a better superiority than GBO, BES, and RIME for an optimum forecast of the PEMFCs model. Moreover, the best fitness was achieved with the SaBO at 0.0367 (V) for the Heliocentris FC-50, and 0.1150 (V) for Nexa® 1200, also, with the minimum deviation of 0.0027 & 0.0172, and high efficiency. These achievements denote that the SaBO algorithm is more stable and robust for PEMFC parameter estimation.
本研究介绍了一种高效的自适应 Bonobo 优化器(SaBO),用于识别质子交换膜燃料电池(PEMFC)的未知参数。本研究还介绍了对基于梯度的优化器 (GBO)、秃鹰搜索算法和 Rime-Ice 算法 (RIME) 等最新稳健方法的比较分析。其基本概念是尽量减小测量和预测堆栈电压之间的平均偏置误差。主要结果表明,虽然这些技术很接近,但相比之下,SaBO 优化器在 PEMFCs 模型的最佳预测方面比 GBO、BES 和 RIME 更优越。此外,SaBO 在 Heliocentris FC-50 和 Nexa® 1200 上分别达到了 0.0367 (V) 和 0.1150 (V)的最佳适配度,而且偏差最小分别为 0.0027 & 0.0172,效率很高。这些结果表明,SaBO 算法在 PEMFC 参数估计方面具有更高的稳定性和鲁棒性。
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引用次数: 0
Combinatorial Order Pre-processing Search (COPS): A new pre-processing strategy for large-scale interpretable data analysis in process analytical technologies 组合阶次预处理搜索(COPS):过程分析技术中用于大规模可解释数据分析的新预处理策略
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-10-11 DOI: 10.1016/j.compchemeng.2024.108892
Wilson Cardoso , Jussara V. Roque , Jeroen J. Jansen , Sin Yong Teng , Reinaldo F. Teófilo
Combinatorial Order Pre-processing Search (COPS), a novel approach for optimizing data pre-processing is proposed in this work. Unlike simultaneous hyperparameter optimization, COPS employs a priori optimization to reduce computational time while refining the search space for preprocessing sequences and combinations. It allows for setting a maximum number of pre-processing methods, while efficiently searching through combinations of methods with chemically relevant knowledge. In this work, 67 calibration datasets across various analytical techniques, including fluorescence spectroscopy, gas chromatography (GC), near-infrared spectroscopy (NIR), mid-infrared spectroscopy (MIR), visible-near-infrared spectroscopy (Vis-NIR), Raman spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, and voltammetry were evaluated. COPS yielded significant improvements over existing methodologies based on design of experiment and compounded pre-processing approaches. The COPS outperformed the other methods, resulting in an average root mean square error of prediction (RMSEP) reduction of 31.7%, while also reduced the complexity (number of latent variables) of the model which allows for easier interpretation. This underscores the importance of combinatorial order set theory for the search of pre-processing method combinations (without fixing the sequence of pre-processing methods) to enhance model performance and interpretation. The novel COPS approach can be employed in process analytical technology (such as inline, online or at-line chemical sensing analytics) to enhance predictive accuracy and operational efficiency, fundamentally transforming the quality and reliability of chemical process monitoring and control.
本研究提出了一种优化数据预处理的新方法--组合阶次预处理搜索(COPS)。与同时进行的超参数优化不同,COPS 采用先验优化来减少计算时间,同时完善预处理序列和组合的搜索空间。它允许设置预处理方法的最大数量,同时有效搜索具有化学相关知识的方法组合。在这项工作中,对 67 个校准数据集进行了评估,这些数据集涉及各种分析技术,包括荧光光谱、气相色谱(GC)、近红外光谱(NIR)、中红外光谱(MIR)、可见-近红外光谱(Vis-NIR)、拉曼光谱、核磁共振(NMR)光谱和伏安法。与基于实验设计和复合预处理方法的现有方法相比,COPS 取得了重大改进。COPS 的性能优于其他方法,使预测的平均均方根误差 (RMSEP) 降低了 31.7%,同时还降低了模型的复杂性(潜在变量的数量),从而使解释更加容易。这凸显了组合秩集理论在寻找预处理方法组合(不固定预处理方法顺序)以提高模型性能和解释能力方面的重要性。新颖的 COPS 方法可用于过程分析技术(如在线、在线或在线化学传感分析),以提高预测准确性和操作效率,从根本上改变化学过程监测和控制的质量和可靠性。
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引用次数: 0
Industrial Process Fault Detection Based on Siamese Recurrent Autoencoder 基于连环自动编码器的工业过程故障检测
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-10-03 DOI: 10.1016/j.compchemeng.2024.108887
Cheng Ji , Fangyuan Ma , Jingde Wang , Wei Sun , Ahmet Palazoglu
Although deep autoencoders excel at extracting intricate features, their application in process monitoring is limited by the requirement for large sample sizes and interpretability of latent representations. This work presents a special deep learning structure named Siamese network to detect abnormal deviations in nonlinear dynamic processes. By leveraging the capability of Siamese architecture to process multiple inputs simultaneously, the training sample size expands exponentially, which enhances the learning potential of the model. Furthermore, a long short-term memory unit is integrated to enable the capture of long-term process dynamics. To refine the distribution of latent features extracted from diverse data types, a contrastive loss function is proposed, which strengthens the model's fault detection capabilities and enhances its interpretation of latent representations. Then T2 statistic is established on the latent space to perform fault detection. The effectiveness of the method is demonstrated through case studies on simulation processes and an industrial process.
虽然深度自动编码器擅长提取复杂的特征,但由于需要大量样本和潜在表征的可解释性,它们在过程监控中的应用受到了限制。本研究提出了一种名为 Siamese 网络的特殊深度学习结构,用于检测非线性动态过程中的异常偏差。利用 Siamese 架构同时处理多个输入的能力,训练样本规模呈指数级扩大,从而增强了模型的学习潜力。此外,还集成了一个长期短期记忆单元,以捕捉长期过程动态。为了完善从不同数据类型中提取的潜在特征的分布,我们提出了一种对比损失函数,它增强了模型的故障检测能力,并提高了模型对潜在表征的解释能力。然后,在潜空间上建立 T2 统计,以进行故障检测。通过对模拟过程和工业过程的案例研究,证明了该方法的有效性。
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引用次数: 0
Spacially affordable decarbonization of coal-fired power plants via membrane-based on-site CO2 absorption: A techno-economic analysis 通过基于膜的现场二氧化碳吸收实现燃煤电厂在空间上可承受的脱碳:技术经济分析
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-09-30 DOI: 10.1016/j.compchemeng.2024.108886
Zikai Cheng , Zheng Li , Pengyang Zhou , Pei Liu
Absorption-tower-based carbon capture can decarbonize coal or natural gas power plants, but its large space requirement limits its applications. On-site carbon capture facilities using hollow fiber membrane contactor (HFMC) can be retrofitted in flue gas passes of power units, thus have great potential in reducing space requirement of carbon capture functional blocks. In this paper, we present a one-dimensional mathematical model of superhydrophobic-modified HFMC and conduct a case study on 660 MW coal-fired power plant to illustrate energy, cost and space requirements of full-scale flue gas carbon capture. Results show that by retrofitting HFMC in flue gas passes, HFMC has around 40 % removal efficiency with 4 % volume of absorption towers. Energy and economic wise, HFMC has 17.22 % lower energy penalty and 37.95 % lower total annual cost than absorption towers. By extending flue gas passes, minimal energy penalty and CO2 avoidance cost drops to 2.33 GJ/t CO2 and 108.37 USD/t CO2.
基于吸收塔的碳捕集可以使煤炭或天然气发电厂脱碳,但其所需空间较大,限制了其应用。使用中空纤维膜接触器(HFMC)的现场碳捕集设施可以加装在发电装置的烟气通道中,因此在减少碳捕集功能块的空间需求方面具有巨大潜力。本文提出了超疏水改性中空纤维膜接触器的一维数学模型,并对 660 兆瓦燃煤电厂进行了案例研究,以说明全规模烟气碳捕集的能源、成本和空间要求。结果表明,通过在烟气通道中加装 HFMC,在吸收塔体积为 4% 的情况下,HFMC 的脱除效率约为 40%。从能源和经济角度来看,HFMC 比吸收塔的能源消耗低 17.22%,年总成本低 37.95%。通过延长烟气通过时间,最低能源消耗和避免二氧化碳排放的成本分别降至 2.33 GJ/t CO2 和 108.37 美元/t CO2。
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引用次数: 0
Two-dimensional reinforcement learning model-free fault-tolerant control for batch processes against multi- faults 二维强化学习模型无故障控制批处理过程,防止多重故障
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-09-26 DOI: 10.1016/j.compchemeng.2024.108883
Limin Wang , Linzhu Jia , Tao Zou , Ridong Zhang , Furong Gao
Aiming at the characteristics of batch process changing along with time and batch directions, the existence of unmodeled dynamics, and the partial failure of actuators or/and sensors, we propose a novel 2D reinforcement learning (RL) fault tolerant control strategy without considering model parameters. Firstly, a two-Dimensional (2D) augmented state space model and 2D Q function-based fault tolerant control (FTC) framework is established. The 2D Bellman equation can be acquired by analyzing the relationship between the 2D value function and the 2D Q function. Based on the extended model and Q-learning concept of RL, a data-driven FTTC independent of model parameters is designed, and a 2D data-driven Q-learning algorithm is proposed. Finally, taking the pressure holding phase in the injection process as the experimental object, the control effect is compared with that of the traditional model-based FTC, and better tracking performance and unbiasedness to the probing noise can be proved.
针对批处理过程随时间和批处理方向变化、存在未建模动态以及执行器或/和传感器部分失效的特点,我们提出了一种无需考虑模型参数的新型二维强化学习(RL)容错控制策略。首先,我们建立了一个二维(2D)增强状态空间模型和基于二维 Q 函数的容错控制(FTC)框架。通过分析二维值函数和二维 Q 函数之间的关系,可以获得二维 Bellman 方程。基于 RL 的扩展模型和 Q-learning 概念,设计了独立于模型参数的数据驱动 FTTC,并提出了二维数据驱动 Q-learning 算法。最后,以注塑过程中的保压阶段为实验对象,对比了与传统基于模型的 FTC 的控制效果,证明了更好的跟踪性能和对探测噪声的无偏性。
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引用次数: 0
Strategic investments and portfolio management in interdependent low-carbon electricity and natural gas markets 相互依存的低碳电力和天然气市场中的战略投资和投资组合管理
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-09-26 DOI: 10.1016/j.compchemeng.2024.108885
Maria Kanta, Evangelos G. Tsimopoulos, Christos N. Dimitriadis, Michael C. Georgiadis
Addressing global warming necessitates carbon emissions reduction and renewable energy integration within the energy sector. Gas-Fired Power Plants (GFPP) are appealing to investors due to their low emissions and operational flexibility, which are considered necessary characteristics within low-carbon power systems with increasing renewable energy uncertainty. Investing in GFPPs presents intricate challenges due to the increasingly interdependent electricity and natural gas markets, especially in the light of a low-carbon economy. This work addresses these challenges for a strategic agent by proposing a bi-level optimization framework. The upper-level model derives the optimal electricity portfolio management regarding new investments and strategic biddings, while in the lower-level model, the electricity and gas markets are cleared sequentially under a Carbon Emission Trading Scheme (CETS). Case studies on a Pennsylvania-New Jersey- Maryland (PJM) 5-bus power system and an IEEE 24-bus test system demonstrate the applicability and efficacy of the proposed model in capturing the impact of a transitional integrated market framework on GFPPs investments. Also, introducing stochasticity to the model provides a better insight into the contrasting effects of emission allowance trading and gas prices on investment and bidding strategies.
要解决全球变暖问题,就必须减少碳排放,并将可再生能源纳入能源部门。燃气发电厂(GFPP)因其低排放和运行灵活性而对投资者具有吸引力,在可再生能源不确定性不断增加的情况下,这些特点被认为是低碳电力系统的必要特征。由于电力和天然气市场日益相互依存,特别是在低碳经济的背景下,投资 GFPP 面临着错综复杂的挑战。本研究通过提出一个双层优化框架来解决战略代理人面临的这些挑战。上层模型推导出关于新投资和战略投标的最优电力组合管理,而在下层模型中,电力和天然气市场在碳排放交易计划(CETS)下依次清算。对宾夕法尼亚州-新泽西州-马里兰州(PJM)5 总线电力系统和 IEEE 24 总线测试系统进行的案例研究表明,所提议的模型在捕捉过渡性一体化市场框架对 GFPPs 投资的影响方面具有适用性和有效性。此外,在模型中引入随机性,可以更好地了解排放配额交易和天然气价格对投资和投标策略的不同影响。
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引用次数: 0
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Computers & Chemical Engineering
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