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Harnessing machine learning for water energy food nexus sustainability: developing a surrogate to multi-objective optimization 利用机器学习实现水能食物关系的可持续性:开发多目标优化的替代方法
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2025-12-12 DOI: 10.1016/j.compchemeng.2025.109526
Fatima Mansour , Michael Yehya , Ali Ayoub , Mahmoud Al-Hindi
Integrated management of water, energy, and food resources is critical for achieving sustainability under rising environmental and demographic pressures, yet existing approaches either lack computational efficiency for real-time decision support or fail to capture the full complexity of sectoral interdependencies. This study presents a Water Energy Food Nexus Machine Learning based surrogate Model (WEFN-MLM). The key innovation lies in training a Random Forest algorithm on comprehensive multi-objective optimization outputs from thousands of diverse scenarios, enabling the model to learn complex nonlinear interdependencies and resource trade-offs without requiring explicit mathematical formulation of system relationships. A high-resolution Multi-Objective Optimization WEFN model (MOO-WEFN) is used to generate the training dataset, incorporating constraints for resource availability, caloric requirements, and environmental thresholds. The trained model demonstrates high predictive accuracy, with most output variables achieving R² values above 0.90 and cosine similarity scores near 1.0. Normalized absolute error analysis reveals strong performance consistency across system-level metrics, with select deviations in sector-specific outputs, particularly those highly sensitive to scenario dynamics or underrepresented in the training space. Compared to traditional optimization, the surrogate model achieves up to a 300,000-fold reduction in computation time. The surrogate model is validated using a randomly generated test set of scenarios that enables direct comparison between surrogate predictions and optimization results. The results highlight the model’s effectiveness for high-resolution nexus analysis and scenario exploration, while also acknowledging trade-offs between speed and precision. Findings underscore the importance of diverse training scenarios, careful application boundaries, and integration with policy processes to support resilient resource planning.
在不断上升的环境和人口压力下,水、能源和粮食资源的综合管理对于实现可持续性至关重要,但现有方法要么缺乏实时决策支持的计算效率,要么无法捕捉部门相互依存关系的全部复杂性。本研究提出了一个基于水-能源-食品关系机器学习的代理模型(WEFN-MLM)。关键的创新在于对随机森林算法进行训练,使其能够在数千个不同场景的综合多目标优化输出上学习复杂的非线性相互依赖关系和资源权衡,而无需明确的系统关系数学公式。高分辨率多目标优化WEFN模型(MOO-WEFN)用于生成训练数据集,该模型结合了资源可用性、热量需求和环境阈值的约束。训练后的模型显示出较高的预测精度,大多数输出变量的R²值达到0.90以上,余弦相似度得分接近1.0。标准化绝对误差分析揭示了跨系统级指标的强大性能一致性,在特定部门的输出中有选择偏差,特别是那些对场景动态高度敏感或在训练空间中代表性不足的输出。与传统优化相比,代理模型的计算时间减少了30万倍。代理模型使用随机生成的场景测试集进行验证,可以直接比较代理预测和优化结果。结果突出了该模型在高分辨率关联分析和场景探索方面的有效性,同时也承认了速度和精度之间的权衡。研究结果强调了多样化培训方案、谨慎的应用边界以及与政策流程整合以支持弹性资源规划的重要性。
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引用次数: 0
Cluster-based adaptive sampling methodology for systems modeling 基于聚类的系统建模自适应抽样方法
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2025-12-12 DOI: 10.1016/j.compchemeng.2025.109527
Maaz Ahmad , Yin Jun , Marta Moreno-Benito , Senthil Kumarasamy , Harsha Nagesh Rao , Jason Mustakis , Iftekhar A Karimi
Modeling real-world (experimental) or simulated (computational) systems using data-driven surrogate models involves selecting a sampling technique to generate the input-output data for training and selecting a surrogate form. In this work, we present a novel sampling technique, Cluster-based Adaptive Sampling, that generates training data smartly and adaptively for developing surrogate models over a given input domain. CAS iteratively clusters sampled points, defines Voronoi tessellation of cluster centroids, and approximates the tessellations using simple hypercubes. It then searches locally and globally over the domain at each iteration to identify nonlinear and under-explored regions respectively, where it samples two new points using a distance-based metric. CAS is agnostic to surrogate form and terminates automatically based on a surrogate quality metric. We assessed CAS against two existing sampling techniques on 40 diverse test functions using six surrogate forms. CAS outperformed both techniques in developing more accurate surrogates for a given computational effort and required lower computational effort for a specified accuracy across most test functions and forms. We highlight the practical applicability of CAS in modeling two pharmaceutical processes and showcase its superior performance over the two techniques.
使用数据驱动的代理模型对真实世界(实验)或模拟(计算)系统进行建模涉及到选择一种采样技术来生成用于训练的输入输出数据和选择代理表单。在这项工作中,我们提出了一种新的采样技术,基于簇的自适应采样,它可以在给定的输入域上智能地自适应地生成训练数据,用于开发代理模型。CAS迭代聚类采样点,定义聚类质心的Voronoi镶嵌,并使用简单的超立方体近似镶嵌。然后,在每次迭代中,它在局部和全局搜索域,分别识别非线性和未开发的区域,在这些区域中,它使用基于距离的度量对两个新的点进行采样。CAS与代理表单无关,并根据代理质量度量自动终止。我们使用6个代理表单对40种不同测试功能的两种现有抽样技术进行了CAS评估。CAS在为给定的计算量开发更精确的代理方面优于这两种技术,并且在大多数测试函数和表单中需要更低的计算量来实现指定的精度。我们强调了CAS在两种制药过程建模中的实际适用性,并展示了其优于两种技术的性能。
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引用次数: 0
Evaluating the potential of plastic waste upcycling using thermochemical technologies: A case study in Spain 利用热化学技术评估塑料废物升级回收的潜力:以西班牙为例研究
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2025-12-11 DOI: 10.1016/j.compchemeng.2025.109524
Roberto Cifuentes García , Evan D. Erickson , Mariano Martín , Víctor M. Zavala
A plastic waste upcycling value chain model has been applied to assess the potential of processing packaging waste in Spain using thermo-chemical technologies to produce low-density polyethylene (LDPE) and polypropylene (PP), which are highly valuable materials. The model projects an annual profit of 120.6 M$/yr, with a capital investment of 789.3 M$, generating 3285 jobs and contributing 65.5 M$/yr to Spain’s economy. The achieved circularity rate of the waste processing infrastructure exceeds 40 %, incorporating recycled HDPE and PET. Despite these advantages, regulatory gaps and market hesitancy toward recycled materials due to quality concerns hinder adoption. Additionally, economies of scale remain underutilized in Spain due to lower plastic waste collection levels compared to countries such as the United States. This network, while less profitable, is environmentally superior, yielding upcycled products with a Global Warming Potential 20–35 % lower than their virgin, fossil-fuel counterparts, confirming this as a viable and sustainable alternative.
西班牙利用热化学技术生产低密度聚乙烯(LDPE)和聚丙烯(PP)这两种高价值材料,应用塑料废物升级回收价值链模型来评估处理包装废物的潜力。该模型预计年利润为1.206亿美元/年,资本投资为7.893亿美元,创造3285个就业岗位,每年为西班牙经济贡献6550万美元。废物处理基础设施的实现循环率超过40%,其中包括回收的HDPE和PET。尽管有这些优势,由于质量问题,监管缺口和市场对回收材料的犹豫阻碍了采用。此外,由于与美国等国家相比,西班牙的塑料废物收集水平较低,因此规模经济仍未得到充分利用。该网络虽然利润较低,但对环境有利,生产的升级回收产品的全球变暖潜能值比原始化石燃料产品低20 - 35%,证实了这是一种可行的可持续替代方案。
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引用次数: 0
Multiperiod strategic planning of CO2 capture, transport, utilization and storage with multimodal transportation 采用多式联运方式进行二氧化碳捕集、运输、利用和封存的多期战略规划
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2025-12-11 DOI: 10.1016/j.compchemeng.2025.109525
Etienne Ayotte-Sauvé , Robert Yandon , Philippe Navarri , Robert Symonds , Robin Hughes , Marzieh Shokrollahi , Rebecca Modler
To reach decarbonization objectives across the globe, scenario modelling studies indicate that carbon capture, utilization and storage (CCUS) will be essential. Planning CCUS deployment at the regional and national levels requires balancing complex trade-offs – such as when to phase-in infrastructure, where and how much CO2 to capture, transport, utilize and store, as well as which policy measures to adopt.
We introduce a new multiperiod mixed-integer linear programming (MILP) model for the strategic planning of CCUS, with CO2 transportation via pipelines, ships, trains and trucks. This model features the selection of capture units and their rates, geographically explicit pipeline network design (including reuse), vehicle fleet estimations, auxiliary transshipment processes, buffer storage, inland reservoirs as well as injection via ships in addition to offshore pipelines. To handle large scale case studies, a simple heuristic algorithm is presented.
The features of the proposed approach are demonstrated on an illustrative Eastern Canada case study involving pipelines, trains and ships. The influence of the temporal resolution chosen by the modeller on the quality of cost estimates and on calculation times is quantified. Compared to leading commercial algorithms, for large model instances the proposed heuristic is shown to produce better results (e.g. 10 % lower cost) with much less computation time (minutes instead of days). This widens the scope of potential use cases, including broader geographical regions and larger sensitivity studies. The annual evolution of an Eastern Canada CCUS value chain is analyzed, paying special attention to the interplay between CO2 storage reservoir and transport constraints.
为了在全球范围内实现脱碳目标,情景模拟研究表明,碳捕获、利用和封存(CCUS)将是必不可少的。规划CCUS在区域和国家层面的部署需要平衡复杂的权衡——例如,何时分阶段使用基础设施,在何处以及捕获、运输、利用和储存多少二氧化碳,以及采取何种政策措施。本文提出了一种新的多周期混合整数线性规划(MILP)模型,用于二氧化碳通过管道、船舶、火车和卡车运输的CCUS战略规划。该模型的特点是捕获单元的选择及其速率,地理上明确的管网设计(包括重用),车队估计,辅助转运过程,缓冲储存,内陆水库以及通过船舶注入以及海上管道。为了处理大规模的案例研究,提出了一种简单的启发式算法。在加拿大东部一个涉及管道、火车和船舶的说明性案例研究中,论证了拟议方法的特点。建模者选择的时间分辨率对成本估算质量和计算次数的影响是量化的。与领先的商业算法相比,对于大型模型实例,所提出的启发式算法显示出更好的结果(例如,成本降低10%),计算时间(几分钟而不是几天)要少得多。这扩大了潜在用例的范围,包括更广泛的地理区域和更大的敏感性研究。分析了加拿大东部CCUS价值链的年度演变,特别关注二氧化碳储存库和运输约束之间的相互作用。
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引用次数: 0
Robust control by applying reinforcement learning to adapt explicit model predictive control policies 通过应用强化学习来适应显式模型预测控制策略的鲁棒控制
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2025-12-10 DOI: 10.1016/j.compchemeng.2025.109519
Edward Hendrik Bras, Tobias Muller Louw, Steven Martin Bradshaw
Reinforcement learning (RL) is a data-driven optimal control technique that has seen limited adoption in the process industries owing to high operational data requirements and the need to balance safe control with exploration. In contrast, Model Predictive Control (MPC) has been established as the benchmark method for optimal control in industrial applications but relies on a dynamic model of the controlled process. In this work, MPC is used as a starting point for online, continuing actor-critic RL applied to the simulated quadruple tank benchmark. Optimal control actions were precomputed as a function of the state space using the plant model, and a neural network was fitted to these data to generate an explicit MPC policy. Subsequently, this policy was adapted during closed-loop interaction of the RL agent with the (simulated) true plant, which exhibited different dynamics to the nominal plant model. The RL controller resolved the effects of plant-model mismatch on closed-loop control performance in the minimum-phase operating region by finding the optimal policy incrementally. In the non-minimum phase operating region, inverse response prevented the RL agent from operating effectively. From multivariable zero analysis, it was shown that process zeros very close to the origin or in the right half plane introduce a significant risk of closed-loop instability under RL control. This work’s findings show both the potential and limitations of RL by adapting precomputed optimal control policies and optimal cost functions (value functions) developed using non-linear MPC.
强化学习(RL)是一种数据驱动的最优控制技术,由于操作数据要求高,需要平衡安全控制与探索,因此在过程工业中应用有限。相比之下,模型预测控制(MPC)已被确立为工业应用中最优控制的基准方法,但它依赖于被控过程的动态模型。在这项工作中,MPC被用作在线的起点,持续的演员评论RL应用于模拟的四缸坦克基准。使用植物模型作为状态空间的函数预先计算最优控制动作,并对这些数据进行神经网络拟合以生成显式MPC策略。随后,该策略在RL代理与(模拟的)真实植物的闭环交互过程中被适应,其表现出与名义植物模型不同的动态。RL控制器通过逐步寻找最优策略的方法,解决了最小相位运行区域内厂模失配对闭环控制性能的影响。在非最小相位工作区域,逆响应影响了RL agent的有效工作。多变量零点分析表明,在RL控制下,非常接近原点或在右半平面的过程零点会引入明显的闭环不稳定风险。这项工作的发现显示了RL的潜力和局限性,它采用了预先计算的最优控制策略和使用非线性MPC开发的最优成本函数(价值函数)。
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引用次数: 0
A risk-aware LNG terminal scheduling digital twin based on deep reinforcement learning 基于深度强化学习的风险感知LNG终端调度数字孪生
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2025-12-10 DOI: 10.1016/j.compchemeng.2025.109520
Yee Hung Hong , Jinglin Wang , Chao Peng , Jinsong Zhao
At LNG receiving terminals, the daily send-out target fluctuates with seawater temperature, the accumulated runtime of parallel units, and planned start-up or shutdown sequences. Operators must still decide which pumps or vaporizers to activate under time pressure and incomplete information. In practice, these choices often rely on experience and short-term intuition rather than systematic evaluation, which can lead to uneven runtime distribution, maintenance bottlenecks, and unnecessary energy consumption. This study asks whether such human decision gaps can be reduced within the actual physical and organizational constraints of a working terminal. We develop RALT-DT, a risk-aware learning and control digital twin that integrates deep reinforcement learning with process-level physical models. The “risk-aware” feature is embodied in three aspects: (1) all policy decisions are constrained by explicit mass and heat-balance equations and safety interlocks, ensuring that the control actions remain within certified operating envelopes; (2) the learning reward explicitly penalizes excessive switching, uneven runtime dispersion, and deviations from preventive-maintenance requirements, treating long-term mechanical wear and operational stability as quantifiable risks; and (3) the system continuously monitors plant–model mismatch and adapts its confidence weighting, so that recommendations are moderated when uncertainty grows. To make the solution practical, the plant’s many operating devices are grouped into four core classes—low-pressure (LP) pumps, high-pressure (HP) pumps, open-rack vaporizers (ORV), and submerged-combustion vaporizers (SCV). A two-time-scale roster generator translates continuous policy outputs into binary start–stop schedules that meet maintenance lock-out and switch-inertia constraints. The resulting framework forms a closed learning loop that is both deterministic and interpretable. A one-month on-site shadow test was carried out, in which the algorithm’s decisions were compared with real operator schedules under live conditions. The digital twin achieved an average electrical energy reduction of 9.4 %, equivalent to a saving of about 754 MWh, without violating throughput or switching limits. When calibrated against plant telemetry and vendor performance curves, the model maintained consistent accuracy across varying load and temperature conditions. These results indicate that a physics-grounded and risk-aware learning framework can systematically enhance human decision quality in large-scale terminal operations. It converts intuition-driven scheduling into a reproducible and auditable policy that improves both electrical energy efficiency and asset reliability.
在LNG接收终端,每日发送目标随着海水温度、并联机组累计运行时间以及计划启动或关闭顺序而波动。操作人员仍然必须在时间压力和信息不完整的情况下决定启动哪些泵或汽化器。在实践中,这些选择通常依赖于经验和短期的直觉,而不是系统的评估,这可能导致不均匀的运行时分布、维护瓶颈和不必要的能源消耗。这项研究询问是否可以在工作终端的实际物理和组织约束下减少这种人类决策差距。我们开发了RALT-DT,一种风险感知学习和控制数字双胞胎,将深度强化学习与过程级物理模型集成在一起。“风险意识”特征体现在三个方面:(1)所有政策决策都受到明确的质量和热平衡方程以及安全联锁的约束,确保控制行动保持在认证的操作范围内;(2)学习奖励明确惩罚过度切换、运行时间不均匀和偏离预防性维护要求,将长期机械磨损和运行稳定性视为可量化的风险;(3)系统持续监测工厂模型不匹配并自适应其置信度权重,从而在不确定性增加时调节推荐。为了使该解决方案切实可行,该工厂的许多操作设备被分为四个核心类别:低压(LP)泵、高压(HP)泵、开式机架汽化器(ORV)和浸入式燃烧汽化器(SCV)。双时间尺度花名册生成器将连续的策略输出转换为满足维护锁定和开关惯性约束的二进制启停时间表。由此产生的框架形成了一个封闭的学习循环,它既确定又可解释。进行了为期一个月的现场阴影测试,将该算法的决策与现场条件下的实际操作计划进行了比较。在不违反吞吐量或开关限制的情况下,数字孪生实现了平均9.4%的电能减少,相当于节省了约754兆瓦时。当根据工厂遥测数据和供应商性能曲线进行校准时,该模型在不同的负载和温度条件下保持一致的准确性。这些结果表明,基于物理和风险意识的学习框架可以系统地提高大规模码头运营中的人类决策质量。它将直觉驱动的调度转换为可重复和可审计的策略,从而提高电力能源效率和资产可靠性。
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引用次数: 0
Safe reinforcement learning via adaptive robust model predictive shielding 基于自适应鲁棒模型预测屏蔽的安全强化学习
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2025-12-10 DOI: 10.1016/j.compchemeng.2025.109521
Hilde Gerold, Sergio Lucia
Ensuring constraint satisfaction during the deployment of reinforcement learning (RL) controllers remains a key challenge for safety-critical systems. Model predictive shielding addresses this by verifying proposed actions through predictive models and replacing unsafe ones with a backup policy, but existing approaches can be overly conservative, computationally demanding, and difficult to design for nonlinear systems with uncertainty.
We propose Adaptive Robust Model Predictive Shielding to overcome these limitations. First, we employ an approximate robust nonlinear model predictive controller as the backup policy, trained offline from multi-stage robust model predictive control data. This robust model predictive shielding approach retains safety under uncertainty while enabling real-time applicability. Second, we introduce an adaptive safety parameter in the RL observation space, allowing the agent to dynamically adjust its conservativeness. Our adaptive model predictive shielding method thus enhances safety and adapts to current uncertainty levels while avoiding excessive conservatism. When deployed with a safe backup policy, adaptive robust model predictive shielding retains safety under uncertainty and reduces unnecessary backup interventions. Simulation results for a nonlinear continuous stirred tank reactor with parametric uncertainty show that the proposed adaptive robust model predictive shielding approach reduces interventions of backup policies while still guaranteeing safety. This framework can be especially beneficial for safe RL of chemical processes where a combination of safety guarantees, high performance, and real-time feasibility is critical.
在部署强化学习(RL)控制器期间确保约束满足仍然是安全关键系统的关键挑战。模型预测屏蔽通过通过预测模型验证建议的操作,并用备用策略替换不安全的操作来解决这个问题,但是现有的方法可能过于保守,计算要求高,并且难以设计具有不确定性的非线性系统。我们提出了自适应鲁棒模型预测屏蔽来克服这些限制。首先,采用近似鲁棒非线性模型预测控制器作为备份策略,从多阶段鲁棒模型预测控制数据中进行离线训练。这种鲁棒模型预测屏蔽方法在不确定性下保持安全性,同时实现实时适用性。其次,我们在RL观测空间中引入自适应安全参数,允许智能体动态调整其保守性。因此,我们的自适应模型预测屏蔽方法提高了安全性,适应当前的不确定性水平,同时避免了过度的保守性。当与安全备份策略一起部署时,自适应鲁棒模型预测屏蔽在不确定情况下保持安全性,并减少不必要的备份干预。对具有参数不确定性的非线性连续搅拌槽式反应器的仿真结果表明,提出的自适应鲁棒模型预测屏蔽方法在保证安全性的同时减少了备用策略的干预。该框架对于化学过程的安全RL尤其有益,因为安全保证、高性能和实时可行性的结合至关重要。
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引用次数: 0
Digital design of crystallization processes using statistical machine learning 使用统计机器学习的结晶过程的数字化设计
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2025-12-10 DOI: 10.1016/j.compchemeng.2025.109518
Yash Barhate , Yung Shun Kang , Neda Nazemifard , C․Benjamin Renner , Yihui Yang , Charles Papageorgiou , Zoltan K. Nagy
This study presents a generic statistical machine learning (ML)-driven modeling workflow for designing crystallization processes, serving as a practical alternative in situations where traditional mechanistic population-balance modeling approaches are impractical. Key highlights of the proposed workflow include synthetic data augmentation to reduce dependency on extensive experimental datasets; the incorporation of active learning strategies to iteratively suggest experimental conditions and refine experimental datasets; and the successful deployment of ML models within the Quality-by-Digital-Design (QbDD) framework. The effectiveness of the proposed approach is demonstrated through two case studies: (1) an in-silico study involving an agrochemical compound, and (2) an experimental case study with an industrial pharmaceutical compound. ML models trained in these scenarios achieved prediction errors below 10 % when predicting critical quality attributes (CQAs). These models subsequently enabled deterministic and probabilistic design space analyses, followed by model-based process optimization, and were confirmed through experimental validation. While the approaches are exemplified using crystallization processes, it provides a generic and systematic framework for the ML model, development applicable to reactions and other complex process systems.
本研究提出了一个通用的统计机器学习(ML)驱动的建模工作流程,用于设计结晶过程,在传统的机械人口平衡建模方法不切实际的情况下,作为一种实用的替代方案。提出的工作流的关键亮点包括合成数据增强,以减少对大量实验数据集的依赖;结合主动学习策略,迭代提出实验条件,完善实验数据集;以及在数字设计质量(QbDD)框架内成功部署ML模型。通过两个案例研究证明了所提出方法的有效性:(1)涉及农业化学化合物的计算机研究,以及(2)涉及工业药物化合物的实验案例研究。在这些场景中训练的ML模型在预测关键质量属性(cqa)时实现了低于10%的预测误差。这些模型随后进行了确定性和概率设计空间分析,随后进行了基于模型的流程优化,并通过实验验证得到了证实。虽然这些方法是用结晶过程举例说明的,但它为ML模型提供了一个通用和系统的框架,开发适用于反应和其他复杂的过程系统。
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引用次数: 0
A blockchain-based circular economy taxonomy model for secure & efficient toxic materials supply chain: A technology-based intervention and case study approach 基于区块链的安全高效有毒材料供应链循环经济分类模型:基于技术的干预和案例研究方法
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2025-12-07 DOI: 10.1016/j.compchemeng.2025.109517
Muhammad Shoaib , Rongjian Yu , Hassan Ali , Amin Ullah Khan , Ahmad Fraz
Globalization makes the supply chain for toxic materials (TOM’s) complex and extensive, affecting their reliability and potentially causing disruptions across various operations. The toxic materials supply chain is a delicate industrial operation that requires significant attention. Integrating the circular economy and blockchain technology into the supply chain provides a substantial solution to this issue, as previous literature lacks a secure and efficient digital system. To achieve this, the state-of-the-art Technology-Based Intervention (TBI) was a cutting-edge methodology that often incorporated the latest technologies and tools, enabling more innovative research validation and efficient problem-solving. This study initially explored the hidden potential of blockchain and the detailed process of the circular supply chain, aiming to provide deep insights. Later, a blockchain-based circular-economy taxonomy model was proposed to enable a secure and efficient toxic-materials supply chain. This model comprises a blockchain design layout, with its key features implemented in the toxic materials circular supply chain (CSC) processes, aiming to achieve a secure and efficient supply chain by addressing key performance indicators (KPIs). Moreover, this paper examines YongTaiyun (永泰运) Chemical Logistics Co., Ltd. as a real-world case study to explore how conventional chemical logistics companies are transforming and upgrading in the digital era by integrating blockchain technology. This approach enables rigorous analysis of complex real-world phenomena, particularly the nexus of technology and industry practices. The results illustrate that blockchain mitigates toxic materials supply chain risks through digital automation and promotes zero waste by reusing, recycling, reprocessing, and remanufacturing used products. It enables governance agencies, traffic controllers, and transportation management to develop standards and policies to eliminate risks related to toxic chemicals, especially nuclear reactors, radiation leakage, irregularities, and illegal access, while providing secure and efficient documentation, handling, storage, and transportation systems. This research provides a comprehensive understanding and roadmap for academic scholars and researchers, aiming to help industrial practitioners, policymakers, and authorised agencies implement blockchain technology and develop informed rules on secure and efficient practices.
全球化使得有毒材料(TOM)的供应链变得复杂和广泛,影响了它们的可靠性,并可能导致各种操作的中断。有毒材料供应链是一个需要高度关注的微妙工业操作。将循环经济和区块链技术整合到供应链中为这一问题提供了实质性的解决方案,因为以前的文献缺乏安全高效的数字系统。为了实现这一目标,最先进的基于技术的干预(TBI)是一种前沿的方法,经常结合最新的技术和工具,使更多的创新研究验证和有效的解决问题。本研究初步探索了区块链的潜在潜力和循环供应链的详细流程,旨在提供深入的见解。随后,提出了基于区块链的循环经济分类模型,以实现安全高效的有毒材料供应链。该模型包括区块链设计布局,其关键功能在有毒材料循环供应链(CSC)流程中实现,旨在通过解决关键绩效指标(kpi)实现安全高效的供应链。此外,本文还以永泰运化工物流有限公司为案例,探讨传统化工物流企业如何在数字化时代通过整合区块链技术进行转型升级。这种方法能够对复杂的现实世界现象进行严格的分析,特别是技术和工业实践的联系。结果表明,区块链通过数字化自动化减轻了有毒材料供应链风险,并通过再利用、回收、再加工和再制造废旧产品来促进零浪费。它使治理机构、交通管制员和运输管理人员能够制定标准和政策,以消除与有毒化学品有关的风险,特别是与核反应堆、辐射泄漏、违规和非法访问有关的风险,同时提供安全有效的文档、处理、存储和运输系统。本研究为学术学者和研究人员提供了一个全面的理解和路线图,旨在帮助工业从业者、政策制定者和授权机构实施区块链技术,并制定有关安全和有效实践的知情规则。
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引用次数: 0
A cloud-enabled digital twin platform for upstream processing in biotechnology: Integrating CFD, compartmentalization, and reaction kinetics 生物技术上游处理的云端数字孪生平台:集成CFD、分区和反应动力学
IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2025-12-04 DOI: 10.1016/j.compchemeng.2025.109488
Xiyan Li , Sebastian L. Jensen , Noah B. Christiansen , Elham Ramin , Johan le Nepvou de Carfort , Johannes Schmölder , Eric von Lieres , Krist V. Gernaey
Biotechnology process modeling has become an essential tool in both research and industrial settings, offering a cost-effective and efficient alternative to extensive physical experimentation. It enables the simulation and analysis of complex biological systems, supporting faster development cycles and better decision-making. To foster collaboration and knowledge sharing in this domain, we present an open source cloud-enabled platform for upstream biotechnology process modeling. The platform provides an integrated environment where users can combine computational fluid dynamics (CFD), compartmental models, and kinetic simulations within a unified and modular interface. Each component of the model operates independently, but can be seamlessly coupled through a standardized API. The system is designed to support both research and educational use cases, with an emphasis on accessibility, extensibility, and reproducibility. This paper outlines the platform architecture and implementation, highlights the technical challenges addressed in model integration, and discusses opportunities for future development. By lowering technical barriers and encouraging community-driven innovation, the platform aims to advance digital twin applications in biotechnology upstream processing.
生物技术过程建模已成为研究和工业环境中的重要工具,为广泛的物理实验提供了一种经济有效的替代方法。它能够模拟和分析复杂的生物系统,支持更快的开发周期和更好的决策。为了促进这一领域的协作和知识共享,我们提出了一个开源的云平台,用于上游生物技术过程建模。该平台提供了一个集成的环境,用户可以在一个统一的模块化界面中结合计算流体动力学(CFD)、隔室模型和动力学模拟。模型的每个组件都独立运行,但可以通过标准化的API无缝耦合。该系统旨在支持研究和教育用例,强调可访问性、可扩展性和可再现性。本文概述了平台的架构和实现,强调了模型集成中所面临的技术挑战,并讨论了未来发展的机会。通过降低技术壁垒和鼓励社区驱动的创新,该平台旨在推进数字孪生在生物技术上游加工中的应用。
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Computers & Chemical Engineering
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