AIChE Journal最新文献_第8页

Self-tuning moving horizon estimation of nonlinear systems via physics-informed machine learning Koopman modeling 通过物理信息机器学习库普曼建模实现非线性系统的自调整移动地平线估计

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-11-22 DOI: 10.1002/aic.18649

Mingxue Yan, Minghao Han, Adrian Wing-Keung Law, Xunyuan Yin

{"title":"Self-tuning moving horizon estimation of nonlinear systems via physics-informed machine learning Koopman modeling","authors":"Mingxue Yan, Minghao Han, Adrian Wing-Keung Law, Xunyuan Yin","doi":"10.1002/aic.18649","DOIUrl":"https://doi.org/10.1002/aic.18649","url":null,"abstract":"In this article, we propose a physics-informed learning-based Koopman modeling approach and present a Koopman-based self-tuning moving horizon estimation design for a class of nonlinear systems. Specifically, we train Koopman operators and two neural networks—the state lifting network and the noise characterization network—using both data and available physical information. The first network accounts for the nonlinear lifting functions for the Koopman model, while the second network characterizes the system noise distributions. Accordingly, a stochastic linear Koopman model is established in the lifted space to forecast the dynamic behaviors of the nonlinear system. Based on the Koopman model, a self-tuning linear moving horizon estimation (MHE) scheme is developed. The weighting matrices of the MHE design are updated using the pretrained noise characterization network at each sampling instant. The proposed estimation scheme is computationally efficient, as only convex optimization needs to be solved during online implementation, and updating the weighting matrices of the MHE scheme does not require re-training the neural networks. We verify the effectiveness and evaluate the performance of the proposed method via the application to a simulated chemical process.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"20 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142684955","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Optimal design of hydrogen-blended natural gas pipeline network considering separation systems 考虑分离系统的氢混天然气管网优化设计

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-11-22 DOI: 10.1002/aic.18648

Shiya Gu, Yunhai Bai, Yachao Dong, Jian Du

引用次数: 0

An experimental study of pressure drop characteristics under single-phase flow through packed bed microreactors 填料床微反应器中单相流压降特性的实验研究

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-11-20 DOI: 10.1002/aic.18640

Lu Zhang, Arne Hommes, Remon Schuring, Jun Yue

{"title":"An experimental study of pressure drop characteristics under single-phase flow through packed bed microreactors","authors":"Lu Zhang, Arne Hommes, Remon Schuring, Jun Yue","doi":"10.1002/aic.18640","DOIUrl":"https://doi.org/10.1002/aic.18640","url":null,"abstract":"Packed bed microreactors offer a promising platform for intensifying heterogeneously catalyzed reactions. To understand hydrodynamics therein, N2 or water flow was investigated experimentally through microreactors packed with glass beads in this work, corresponding to a microreactor to particle diameter ratio (D/d) of 1.29–25.12. The porosity of a single pellet string microreactor (D/d < 1.866) agrees with the literature's theoretical equation. For microreactors with larger D/d ratios, an empirical porosity correlation is proposed to address the dense packing nature of the bed. The existing correlations are inadequate to describe the pressure drop data in microreactors within the entire D/d ratios and modified Reynolds numbers (Rem < 291). At D/d ≥ 3, the measured pressure drop is described by the modified Ergun equation using properties of the bulk bed zone to exclude the wall effect. At D/d < 3, it can be predicted by introducing a correction term for the wall effect into the Ergun equation.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"237 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142673126","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Anatase-reinforced PtZn@Silicalite-1 structured catalysts boosting propane dehydrogenation 无铬酸盐增强型 PtZn@Silicalite-1 结构催化剂促进丙烷脱氢

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-11-16 DOI: 10.1002/aic.18650

Liming Xia, Bofeng Zhang, Gang Hou, Shuo Zhang, Li Wang, Guozhu Liu

{"title":"Anatase-reinforced PtZn@Silicalite-1 structured catalysts boosting propane dehydrogenation","authors":"Liming Xia, Bofeng Zhang, Gang Hou, Shuo Zhang, Li Wang, Guozhu Liu","doi":"10.1002/aic.18650","DOIUrl":"https://doi.org/10.1002/aic.18650","url":null,"abstract":"Structured catalysts exhibit the advantages of high diffusion efficiency and low heat transfer resistance, which have attracted increasing attention to non-adiabatic gas–solid process. However, the metal-supported coating catalysts face the problems of weaker bond strength and severe sintering, especially under the conditions of large flow rate and high temperature. Herein, metal@Silicalite-1 structured catalysts with high adhesion and thermal stability were successfully prepared by hydroxylating the substrate with anatase. Rich surface Ti-OH significantly strengthened the adhesion stability of the zeolite coating. In propane dehydrogenation reaction, the optimized PtZn@S-1-15Ti showed a high specific activity of 49.6 molC3H6·molPt−1·s−1 with propylene selectivity above 99% at 600°C. The introduction of anatase accelerated the aggregation of silicon sources and induced nucleation with growth content of zeolite increased by 3.6 times. It breaks the inherent contradiction between high loading amount and strong binding ability of coated catalysts, which broadens the avenues for industrial applications.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"99 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142670928","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Lignin‐carbon buffered Cu sites for clean H2 evolution coupled to lignin upgrading to jet fuel precursor 木质素-碳缓冲 Cu 位点用于清洁 H2 演化，并将木质素升级为喷气燃料前体

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-11-15 DOI: 10.1002/aic.18651

Xiaofei Wang, Jinbin Liao, Xueqing Qiu, Yaxin Deng, Xuliang Lin, Yanlin Qin

{"title":"Lignin‐carbon buffered Cu sites for clean H2 evolution coupled to lignin upgrading to jet fuel precursor","authors":"Xiaofei Wang, Jinbin Liao, Xueqing Qiu, Yaxin Deng, Xuliang Lin, Yanlin Qin","doi":"10.1002/aic.18651","DOIUrl":"https://doi.org/10.1002/aic.18651","url":null,"abstract":"Solar‐driven photocatalysis is a promising strategy for clean hydrogen (H2) generation cooperated with selective organic synthesis. Lignin, rich in aromatic units and functional groups, serves as an ideal hole sacrificial agent and substrate, facilitating H2 evolution and yielding high‐value chemicals/fuels. To boost overall photocatalytic redox efficiency, thermal catalysis was further combined to enhance the transfer and activity of photo‐generated carriers. And a highly controllable Cu‐based catalyst was developed using technical lignin‐carbon as an electron buffer. The active‐pyrolyzed lignin‐carbon layer precisely regulated the crystal dispersion of Cu species on Cu/SiO2, simultaneously dynamically constructing active electron‐rich Cu0 and electron‐deficient Cuσ+ (1 < σ ≤ 2) sites. Excellent thermo‐photo redox performances were achieved, with an H2 evolution rate up to 1313.2 μmol·gcat−1·h−1 and a yield of 45.2% for C13–C16 aromatic dimers from lignin monomers. This study reveals the highly utilization of lignin in functional catalysts, as well as the efficient production of H2 and jet fuel precursors.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"160 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142637127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Optimizing supramolecular interactions within metal–organic frameworks for ultra‐high purity propylene purification 优化金属有机框架内的超分子相互作用，实现超高纯度丙烯纯化

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-11-15 DOI: 10.1002/aic.18646

Tong Li, Lu Zhang, Yong Wang, Xiaoxia Jia, Hui Chen, Yongjian Li, Qi Shi, Lin‐Bing Sun, Jinping Li, Banglin Chen, Libo Li

{"title":"Optimizing supramolecular interactions within metal–organic frameworks for ultra‐high purity propylene purification","authors":"Tong Li, Lu Zhang, Yong Wang, Xiaoxia Jia, Hui Chen, Yongjian Li, Qi Shi, Lin‐Bing Sun, Jinping Li, Banglin Chen, Libo Li","doi":"10.1002/aic.18646","DOIUrl":"https://doi.org/10.1002/aic.18646","url":null,"abstract":"Purifying ultra‐high purity propylene (>99.995%) with an energy‐efficient adsorptive separation method is a promising yet challenging technology that remains unfulfilled. Instead of solely considering the effect of adsorbents on guest molecules, we propose a synergistic adsorption mechanism for the deep removal of propane and propyne, utilizing supramolecular interactions in both “host‐guest” and “guest‐guest” systems. Through modulation of the pore environment, Ni‐DMOF‐DM exhibits exceptionally high adsorption capacities for propane and propyne (171 and 197 cm3/g at ambient temperature and pressure, respectively), and unprecedented propane/propylene separation selectivity (2.74). Theoretical calculations confirm the geometric interactions of C‐H···π bonds and C‐H···O hydrogen bonds resulting from host‐guest interactions, alongside C‐H···H guest‐guest interactions within the confined pore space. Breakthrough experiments demonstrated that ultra‐high purity propylene (propane < 0.005% and propyne < 1.0 ppm) can be directly collected from ternary mixtures on Ni‐DMOF‐DM, achieving a productivity of up to 152.14 L/kg.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"197 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142637128","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Liquid holdup of gas–liquid two-phase flow in micro-packed beds reactors 微型堆积床反应器中气液两相流的液体截留量

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-11-13 DOI: 10.1002/aic.18636

Keyi Chen, Yangcheng Lu

引用次数: 0

Reverse design of molecule-process-process networks: A case study from HEN-ORC system 分子-过程-过程网络的逆向设计：HEN-ORC 系统案例研究

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-11-12 DOI: 10.1002/aic.18643

Xiaodong Hong, Xuan Dong, Zuwei Liao, Jingyuan Sun, Jingdai Wang, Yongrong Yang

引用次数: 0

Vapor–liquid phase equilibrium prediction for mixtures of binary systems using graph neural networks 利用图神经网络预测二元系统混合物的气液相平衡

IF 3.7 3区工程技术

AIChE Journal Pub Date : 2024-11-05 DOI: 10.1002/aic.18637

Jinke Sun, Jianfei Xue, Guangyu Yang, Jingde Li, Wei Zhang

引用次数: 0

Development and validation of a controlled heating apparatus for long-term MRI of 3D microfluidic tumor models 开发并验证用于三维微流控肿瘤模型长期磁共振成像的受控加热装置

IF 3.5 3区工程技术

AIChE Journal Pub Date : 2024-11-05 DOI: 10.1002/aic.18638

Hassan Alkhadrawi, Kokeb Dese, Dhruvi M. Panchal, Alexander R. Pueschel, Kasey A. Freshwater, Amanda Stewart, Haleigh Henderson, Michael Elkins, Raj T. Dave, Hunter Wilson, John W. Bennewitz, Margaret F. Bennewitz

{"title":"Development and validation of a controlled heating apparatus for long-term MRI of 3D microfluidic tumor models","authors":"Hassan Alkhadrawi, Kokeb Dese, Dhruvi M. Panchal, Alexander R. Pueschel, Kasey A. Freshwater, Amanda Stewart, Haleigh Henderson, Michael Elkins, Raj T. Dave, Hunter Wilson, John W. Bennewitz, Margaret F. Bennewitz","doi":"10.1002/aic.18638","DOIUrl":"10.1002/aic.18638","url":null,"abstract":"Conventional testing of novel contrast agents for magnetic resonance imaging (MRI) involves cell and animal studies. However, 2D cultures lack dynamic flow and in vivo MRI is limited by regulatory approval of long-term anesthesia use. Microfluidic tumor models (MTMs) offer a cost-effective, reproducible, and high throughput platform for bridging cell and animal models. Yet, MRI of microfluidic devices is challenging, due to small fluid volumes generating low sensitivity. For the first time, an MRI of MTMs was performed at low field strength (1 T) using conventional imaging equipment without microcoils. To enable longitudinal MRI, we developed (1) CHAMP-3 (controlled heating apparatus for microfluidics and portability) which heats MTMs during MRI scans and (2) an MRI-compatible temperature monitoring system. CHAMP-3 maintained chip surface temperature at ~37°C and the media inside at ~35.5°C. Enhanced T1-weighted MRI contrast was achieved in 3D MTMs with free manganese (Mn2+) solutions and Mn2+ labeled tumor cells.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"70 12","pages":""},"PeriodicalIF":3.5,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142580722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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