检索结果-内蒙古大学图书馆

Multiscale process systems engineering—analysis and design of chemical and energy systems from molecular design up to process optimization

引用

Frontiers of Chemical Science and engineering 2022年第2期16卷 137-140页

作者： Teng Zhou Kai Sundmacher Process Systems Engineering Max Planck Institute for Dynamics of Complex Technical SystemsD-39106 MagdeburgGermany Process Systems Engineering Otto-von-Guericke University MagdeburgD-39106 MagdeburgGermany

As indicated by Grossmann and Westerberg[1],a process system can be generally decomposed into hierarchical levels or scales at which different physical and/or chemical phenomena take place(see Fig.1).The first step of multiscale process modeling is to connect the molecular level with the phase level,where the main task is to model and predict the properties of fluid mixtures based on the atomic-or molecular-level ***,quantum chemical(QC)computation,molecular simulation,and equations of state are used to provide such ***,due to the ever-increasing number of available data and fast development of cheminformatics and machine learning tools,data-driven descriptor models have been developed and widely used for property predictions[2].

关键词： process chemical optimization

来源：评论

学校读者我要写书评

暂无评论

A process systems engineering approach towards responsive and sustainable (bio-)pharmaceutical supply chains

引用

Computers & Chemical engineering 2025年 201卷

作者： Miriam Sarkis Steven Sachio Maria M. Papathanasiou The Sargent Centre for Process Systems Engineering Imperial College London London SW72BB Greater London United Kingdom Department of Chemical Engineering Imperial College London London SW72BB Greater London United Kingdom

The growth of advanced pharmaceutical products paves the way to a step change in manufacturing network design and planning, with an increasing pressure to meet uncertain demands. In this space, the ability to ramp up manufacturing capacity becomes a crucial metric to consider during planning. This work presents an optimization-based approach for network design and scalability assessment. Firstly, techno-economic and life cycle analyses are used to quantify input optimization parameters for candidate technologies. Secondly, a multi-product design and planning problem is solved to obtain optimized network designs. Thirdly, the scalability of given designs is quantified through a solution space assessment methodology, whereby uncertain demand and adjustable production yield parameters are sampled simultaneously and the size of the feasible solution region is quantified through α -shape methods. This becomes an indicator of the capacity of the network design to withstand demand variations through process manipulation, intensification, and scale-out, thus quantifying a space of operation versus a single optimal point. Comparative results are presented for multi-use (MU) equipment-based manufacturing and a single-use (SU) counterpart, which enables a modular manufacturing approach. Costs and footprints of the SU-based network are lower compared to MU, whilst scalability significantly increases. This highlights the potential of modular and flexible manufacturing in improving resource use and overall supply chain responsiveness.

关键词： Supply chain optimization Mixed-integer linear programming Modular manufacturing Next-generation pharmaceuticals

来源：评论

学校读者我要写书评

暂无评论

A projected Newton algorithm based on chemically allowed interval for chemical equilibrium computations

引用

Frontiers of Chemical Science and engineering 2024年第3期18卷 25-37页

作者： Hongbin Lu Shaohui Tao Xiaoyan Sun Li Xia Shuguang Xiang Institute of Process Systems Engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao266042China

The chemical equilibrium equations utilized in reactive transport modeling are complex and nonlinear,and are typically solved using the Newton-Raphson *** this algorithm is known for its quadratic convergence near the solution,it is less effective far from the solution,especially for ill-conditioned *** such cases,the algorithm may fail to converge or require excessive *** address these limitations,a projected Newton method is introduced to incorporate the concept of *** method constrains the Newton step by utilizing a chemically allowed interval that generates feasible descending ***,we utilize the positive continuous fraction method as a preconditioning technique,providing reliable initial values for solving the *** numerical results are compared with those derived using the regular Newton-Raphson method,the Newton-Raphson method based on chemically allowed interval updating rules,and the bounded variable least squares method in six different test *** numerical results highlight the robustness and efficacy of the proposed algorithm.

关键词： chemical equilibrium reactive transport modeling numerical methods projected Newton method

来源：评论

学校读者我要写书评

暂无评论

COSMO-RS screening of organic mixtures for membrane extraction of aromatic amines: TOPO-based mixtures as promising solvents

引用

Green Chemical engineering 2025年第02期6卷 263-274页

作者： Gilles Van Eygen Catherine Echezuria Anita Buekenhoudt Jo?o A.P.Coutinho Bart Van der Bruggen Patricia Luis Process Engineering for Sustainable Systems (ProcESS) Materials & Process Engineering (IMAP) Université catholique de Louvain Unit Separation and Conversion Technology Vlaamse Instelling voor Technologisch Onderzoek (VITO NV) CICECO-Aveiro Institute of Materials Chemistry DepartmentUniversity of Aveiro Research & Innovation Centre for Process Engineering (ReCIPE)

Aromatic amines are crucial in pharmaceuticals, but their synthesis is challenging due to unfavorable reaction equilibria and the use of costly, environmentally unfriendly methods. This study presents a membrane extraction（ME） process for rn srtu product removal（ISPR） of aromatic amines. Using a supported liquid membrane（SLM）,α-methylbenzylamine（MBA） and 1-methyl-3-phenylpropylamine（MPPA） were separated from isopropyl amine（IPA）. Conductor-like Screening Model for Real Solvents（COSMO-RS） was employed to screen over 200 organic mixtures, identifying twelve mixtures based on trioctylphosphine oxide（TOPO）, lidocaine, and menthol as solvent candidates, due to their hydrophobicity. These mixtures were analysed for critical solvent properties including density, viscosity, hydrophobicity, and H-bonding interactions. ME tests showed TOPO-thymol had the highest solvent residual and selectivity. Moreover, TOPO-thymol demonstrated solute fluxes of 9.0±3.0 g/（m2h） for MBA, 16.5±5.4 g/（m2h） for MPPA, and 0.7±0.3 g/（m2h） for IPA, with selectivity values of 12.4±0.8 for MBA/IPA and 22.8±1.4 for MPPA/IPA. Compared to undecane, which had lower selectivity values of 6.9±0.8 for MBA/IPA and 10.1±1.3 for MPPA/IPA, TOPO-thymol showed superior selectivity, indicating its promise as an extractant for ME applications.

关键词： Aromatic amines Membrane extraction COSMO-RS Supported liquid membranes TOPO-based solvents

来源：评论

学校读者我要写书评

暂无评论

Construction of multifunctional lanthanum manganese mixed nanoparticles mediated by ionic liquids for selective aerobic oxidation of cyclohexane

引用

Rare Metals 2024年第5期43卷 2205-2221页

作者： Hao Li Rui-Rui Zhang Ke-Xin Li Shuang Wei Yu-Mei Liu Rui-Xia Liu Beijing Key Laboratory of Ionic Liquids Clean Process CAS Key Laboratory of Green Process and EngineeringState Key Laboratory of Multiphase Complex SystemsInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China

Selective oxidation of alkanes to produce highvalue chemicals is an essential strategy and means to realize efficient utilization of *** this work,a strategy of lanthanum manganese mixed metal oxides(LMMO)regulated via a facile ionic liquid(IL)-assisted hydrothermal method was proposed to construct the multifunctional catalysts,which exhibited excellent catalytic performance in the selective aerobic oxidation of *** 8.9%cyclohexane conversion with 90%KA oi(cyclohexanol and cyclohexanone)selectivity was achieved over the optimal LMMO catalyst under mild *** effects of anion type,carbon chain length and concentration of ILs on the structure and properties of catalysts were investigated through various characterizations,indicating the structure-directing and template effect of ILs on the multifunctional *** formation of self-assembled spherical nanoparticles followed the"dissolution-nucleation-proliferation"mechanism with the introduction of 1-butyl-3-methylimidazolium hydrogen sulfate,ascribing the synergistic effect between the microenvironment of ILs and the hydrothermal ***,the high reactive oxygen concentration redox capacity,and suitable basic sites of LMMO catalysts mediated by ILs enhance the activation of C-H bonds and molecular oxygen,simultaneously influencing the adsorption and desorption of the substrate.A comprehensive understanding of the high KA oil selectivity and radical reaction mechanism was elucidated based on in situ diffuse reflectance infrared Fourier transform spectroscopy(DRIFTS)and radical trapping *** recycling and regeneration experiments further illuminated that the removal of adsorbed cyclohexanone acting on the LMMO catalyst was the key to achieve high KA oil selectivity.

关键词： Ionic liquids Nanoparticle Multifunctional catalyst Cyclohexane oxidation

来源：评论

学校读者我要写书评

暂无评论

Synthesis of flexible inter-plant heat exchanger networks:A decomposition method considering intermedium fluid circles

引用

Chinese Journal of Chemical engineering 2024年第11期75卷 62-73页

作者： Ran Tao Siwen Gu Linlin Liu Jian Du Institute of Process Systems Engineering School of Chemical EngineeringDalian University of TechnologyDalian 116023China School of Photoelectric Engineering Changzhou Institute of TechnologyChangzhou 213032China

The traditional methods for synthesizing flexible heat exchanger networks(HENs)are not directly applicable to inter-plant HEN challenges,primarily due to the spread of system uncertainty across plants via intermedium fluid *** complicates the synthesis process *** tackle this issue,this study proposes a decomposed stepwise methodology to facilitate the flexible synthesis of the interplant HENs performing indirect heat integration.A decomposition strategy is proposed to divide the overall network into manageable sub-networks by dissecting the intermedium fluid *** address the variability in intermedium fluid temperatures,a temperature fluctuation analysis approach is developed and a heuristic rule is introduced to maintain the temperature feasibility of the intermedium *** ensure adequate flexibility and cost-effectiveness of the designed networks,flexibility analysis and network retrofit steps are conducted through model-based optimization *** efficacy of the method is demonstrated through two case studies,showing its potential in achieving the desired operational flexibility for inter-plant HENs.

关键词： Inter-plant heat exchanger networks(HENs) Indirect heat integration Flexible synthesis Flexible analysis Decomposition method

来源：评论

学校读者我要写书评

暂无评论

Architecture of Digital Twin for Automating Waste and Recycling Material Sorting process 29

Architecture of Digital Twin for Automating Waste and Recycl...

引用

29th IEEE International Conference on Emerging Technologies and Factory Automation, ETFA 2024

作者： Parbat, Shreyas Iqbal, Imam Viedt, Isabell Urbas, Leon Technische Universität Dresden Process Control Systems & Process Systems Engineering Group Dresden Germany

ISBN: (纸本)9798350361230

Waste and recycling material sorting is crucial for reducing environmental impact and promoting resource recovery. However, its complexity poses significant challenges, necessitating the development of effective sorting processes. Manual operation of these plants can be less efficient than automated systems. The first step toward automation is utilizing a Digital Twin, which combines fundamental principles and data-driven insights into the waste sorting process. To achieve this, the equipment involved in waste sorting plants can be analyzed in detail, focusing on operational settings and their impact on overall efficiency. Initially, a steady-state model of the plant is developed, followed by the implementation of advanced strategies like model predictive control. The model can be rigorously tested and refined using a case study on German post-consumer waste. The architecture of the Digital Twin, comprising various building blocks such as the modeling and simulation block, is being developed to transition away from manual operations. This Digital Twin aims to enhance sorting efficiency through offline and online optimization of operational set points, leading to a more sustainable and resource-efficient future. Through simulations and real-time data integration, a Digital Twin for the waste and recycling material process can aid with process design, fine-tuning, and plant automation. © 2024 IEEE.

关键词： Circular economy

来源：评论

学校读者我要写书评

暂无评论

Optimization of batch cooling crystallization systems considering crystal growth,nucleation and *** I:Simulation

引用

Particuology 2025年第1期96卷 84-96页

作者： Qilei Xu Bin Lian Yan Long Baoming Shan Xuezhong Wang Fangkun Zhang College of Automation and Electronic Engineering Qingdao University of Science&TechnologyQingdao266061China School of Chemical and Process Engineering University of LeedsLeedsLS29JTUnited Kingdom Centre for Pharmaceutical and Crystallization Process Systems Engineering School of Chemical EngineeringBeijing Institute of Petrochemical TechnologyBeijing102617China

Optimal control of batch crystallization systems is still a focus and hot topic in the field of industrial crystallization, which seriously affects the consistency of batch product quality. In this paper, a new method with a new objective function and improved optimization algorithm was proposed for optimization of crystal size distribution (CSD) in case of fine crystals occurrence. The new objective function was developed with better margin metric and weighting technique to minimize fine crystal mass, meanwhile, a newly constructed sinusoidal weight function was introduced to improve the particle swarm optimization (PSO) algorithm. A precise control of CSD with suppressed numerical discrepancy caused by fine crystals removal was developed by combining seed recipe and temperature-swing. In addition, the effects of temperature curve segments on CSD during process optimization were systematically investigated to achieve optimal results. Two typical batch cooling crystallization systems were used to verify the effectiveness of the proposed method in controlling product CSD while minimizing fine crystal mass. Results demonstrated that the desired product CSD can be achieved with minor errors while the fine crystals could be shrunk to be negligible, i.e., the fine crystal mass and number can be reduced by over 90%. This work has an important guiding significance for the removal of fine crystals in industrial crystallization processes, especially when only operational optimization rather than equipment updating is considered.

关键词： Crystal size distribution Optimization Objective function Fine crystals removal Batch crystallization

来源：评论

学校读者我要写书评

暂无评论

Advanced 3D ordered electrodes for PEMFC applications: From structural features and fabrication methods to the controllable design of catalyst layers

引用

Green Energy & Environment 2024年第9期9卷 1336-1365页

作者： Kaili Wang Tingting Zhou Zhen Cao Zhimin Yuan Hongyan He Maohong Fan Zaiyong Jiang School of Chemistry&Chemical Engineering and Environmental Engineering Weifang UniversityWeifang261061China Beijing Key Laboratory of Ionic Liquids Clean Process State Key Laboratory of Multiphase Complex SystemsCAS Key Laboratory of Green Process and EngineeringInstitute of Process EngineeringChinese Academy of SciencesBeijing100190China College Engineering and Physical Sciences and School of Energy ResourcesUniversity of WyomingLaramieWY 82071USA

The catalyst layers(CLs) electrode is the key component of the membrane electrode assembly(MEA) in proton exchange membrane fuel cells(PEMFCs). Conventional electrodes for PEMFCs are composed of carbon-supported, ionomer, and Pt nanoparticles, all immersed together and sprayed with a micron-level thickness of CLs. They have a performance trade-off where increasing the Pt loading leads to higher performance of abundant triple-phase boundary areas but increases the electrode cost. Major challenges must be overcome before realizing its wide commercialization. Literature research revealed that it is impossible to achieve performance and durability targets with only high-performance catalysts, so the controllable design of CLs architecture in MEAs for PEMFCs must now be the top priority to meet industry goals. From this perspective, a 3D ordered electrode circumvents this issue with a support-free architecture and ultrathin thickness while reducing noble metal Pt loadings. Herein, we discuss the motivation in-depth and summarize the necessary CLs structural features for designing ultralow Pt loading electrodes. Critical issues that remain in progress for 3D ordered CLs must be studied and characterized. Furthermore, approaches for 3D ordered CLs architecture electrode development, involving material design, structure optimization, preparation technology, and characterization techniques, are summarized and are expected to be next-generation CLs for PEMFCs. Finally, the review concludes with perspectives on possible research directions of CL architecture to address the significant challenges in the future.

关键词： PEMFC 3D ordered electrode Structural features Preparation technology Ultralow Pt loading

来源：评论

学校读者我要写书评

暂无评论

An improved EMMS model for turbulent flow in pipe and its solution

引用

Particuology 2023年第5期76卷 1-12页

作者： Lin Zhang Wen Lai Huang Jianhua Chen State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing100190China

Based on the existing energy-minimization multi-scale(EMMS)model for turbulent flow in pipe,an improved version is proposed,in which not only a new radial velocity distribution is introduced but also the quantification of total dissipation over the cross-section of pipe is improved for the dominant mechanism of fully turbulent flow in *** four dynamic equality constraints and some other constraints are constructed but there are five parameters involved,leading to one free variable *** the compromise in competition between dominant mechanisms for laminar and fully turbulent flow in pipe respectively,the above four constructed dynamic equality constraints can be ***,the cases for turbulent flow in pipe with low,moderate and high Reynolds number are simulated by the improved EMMS *** numerical results show that the model can obtain reasonable results which agree well with the data computed by the direct numerical simulation and those obtained by *** illustrates that the improved EMMS model for turbulent flow in pipe is reasonable and the compromise in competition between dominant mechanisms is indeed a universal governing principle hidden in complex ***,one more EMMS model for a complex system is offered,pro-moting the further development of mesoscience.

关键词： Mesoscience EMMS Compromise in competition Dominant mechanism Turbulent flow in pipe

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：