Industrial & Engineering Chemistry Research最新文献

Digital Design of Cooling Crystallization Processes Using a Machine Learning-Based Strategy 利用机器学习策略进行冷却结晶工艺的数字化设计

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-10-21 DOI: 10.1021/acs.iecr.4c01651

Yiming Ma, Wei Li, Huaiyu Yang, Junbo Gong, Zoltan K. Nagy

{"title":"Digital Design of Cooling Crystallization Processes Using a Machine Learning-Based Strategy","authors":"Yiming Ma, Wei Li, Huaiyu Yang, Junbo Gong, Zoltan K. Nagy","doi":"10.1021/acs.iecr.4c01651","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01651","url":null,"abstract":"This study introduces a novel machine learning-based digital design strategy for predicting the final yield and particle size distribution (PSD) in cooling crystallization processes. The proposed approach integrates an artificial neural network (ANN) to correlate operating conditions and product qualities with a generative adversarial network-based model of the crystallization process (CrystGAN) to generate new data, thereby reducing the dependence on extensive real data sets. After training the CrystGAN model with only 30 data sets, the generated yield values showed an RMSE of 6.428 and an MAE of 4.622 compared to real values. The coupled CrystGAN-ANN model exhibited predictive performance, with R2 values greater than 0.93 for all Dv predictions. This method was demonstrated using a simulated data set of the l-glutamic acid crystallization process and validated using a new experimental data set of the p-toluenesulfonamide crystallization process. The average prediction error of the proposed approach was within 5% for both the product PSD and yield. The proposed strategy significantly reduces the experimental effort and design complexity required compared with traditional mechanistic model development and validation, offering a robust, scalable, and efficient framework for crystallization process design and optimization in industrial applications.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142451910","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

Effect of Anions on the Memory Effect in the Tetra-n-butylammonium Dicarboxylate Semiclathrate Hydrate Reformation 阴离子对二羧酸四正丁铵半液态水合物转化中记忆效应的影响

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-10-21 DOI: 10.1021/acs.iecr.4c02687

Kazuhiro Minamikawa, Jin Shimada, Takeshi Sugahara, Takayuki Hirai

引用次数: 0

Ethylene Oxide: A Catalyst and Process Development Success Story 环氧乙烷：催化剂和工艺开发的成功案例

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-10-21 DOI: 10.1021/acs.iecr.4c02241

Tracy L. Lohr, John R. Lockemeyer, Simon D. Bishopp, Ali H. Motagamwala, Gary J. Wells, Thijs Wermink

{"title":"Ethylene Oxide: A Catalyst and Process Development Success Story","authors":"Tracy L. Lohr, John R. Lockemeyer, Simon D. Bishopp, Ali H. Motagamwala, Gary J. Wells, Thijs Wermink","doi":"10.1021/acs.iecr.4c02241","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02241","url":null,"abstract":"A retrospective look into the rich history of ethylene oxide (EO) catalyst and process development is presented. This Review is written from the Shell Technology perspective, focusing on the major inventions ranging from the first heterogeneous catalysts to currently practiced process technology. The authors describe the major inventions related to the heterogeneous (gas–solid) epoxidation of ethylene with molecular oxygen over silver-based catalysts. This includes silver-only, chlorine-moderated, alkali-promoted, NOx-promoted, and rhenium-promoted catalyst systems. General information related to catalyst support materials, preparation methods, and catalyst testing are described. A deeper dive into the effects of gas phase components and the reaction mechanism schemes is also presented, with much of the focus taken from the plethora of academic studies published over the decades of this seemingly simple reaction. Many aspects of EO process development are also covered in this Review, ranging from reactor design, evolution of the overall EO production process, to the manufacture of monoethylene glycol (MEG)─the primary derivative of ethylene oxide. Here, both thermal and catalytic routes to the MEG are described. The very important topics of safety related to feed components, product EO, and unit operation are addressed. Lastly, we discuss the current state of the art and prospects for future improvements with regard to the sustainability of EO and MEG production.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142452258","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

Evaluation of Near-Isothermal Phase-Change CO2 Capture Technology with Heat Pump 利用热泵评估近等温相变二氧化碳捕获技术

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-10-21 DOI: 10.1021/acs.iecr.4c00722

Dongyuan Chang, Siyang Tang, Shan Zhong, Yangyang Yu, Chao Chen, Houfang Lu, Bin Liang

{"title":"Evaluation of Near-Isothermal Phase-Change CO2 Capture Technology with Heat Pump","authors":"Dongyuan Chang, Siyang Tang, Shan Zhong, Yangyang Yu, Chao Chen, Houfang Lu, Bin Liang","doi":"10.1021/acs.iecr.4c00722","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c00722","url":null,"abstract":"Developing low-energy decarbonization technology is crucial for achieving large-scale CO2 capture from industrial flue gas. During the absorption of CO2, phase-change solvents (PCSs) can be separated into a CO2-rich phase and a CO2-lean phase. By exclusively supplying the CO2-rich phase to the desorber for solvent regeneration, the need for sensible heat is eliminated as a result of the reduction of the amount of solvent. However, the heat absorbed by the CO2-lean phase remains unrecovered. This study proposes a near-isothermal CO2 capture technology utilizing phase-change solvents (NI-PCSs-TCC) to recover the reaction heat absorbed by the CO2-lean phase to compensate for regeneration heat through a heat pump system. A Solvent-Technology Matching Method (STMM) is proposed, which helps to co-optimize the solvent concentration and process operation parameters. The optimal operating range for the MEA/sulfolane/water solvent concentration and process parameters within the NI-PCSs-TCC is evaluated. NI-PCSs-TCC can achieve an energy consumption of 2.16 GJ/t CO2 between the temperature ranges of 338.15–341.15 K for absorption and 379.15–383.15 K for desorption. This energy reduction is possible while maintaining a capture efficiency of over 90% and a lean loading of 0.2540 mol of CO2/mol of amine.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142451896","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

Maximization of Hydrogen Production via Methane Steam Reforming in a Wavy Microreactor by Optimization of Catalyst Coating: A Combined Computational and Data Analytics Approach 通过优化催化剂涂层最大化波浪形微反应器中甲烷蒸汽转化制氢：计算与数据分析相结合的方法

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-10-21 DOI: 10.1021/acs.iecr.4c02467

Mohsen Esfandiary, Nader Karimi, Seyfolah Saedodin

{"title":"Maximization of Hydrogen Production via Methane Steam Reforming in a Wavy Microreactor by Optimization of Catalyst Coating: A Combined Computational and Data Analytics Approach","authors":"Mohsen Esfandiary, Nader Karimi, Seyfolah Saedodin","doi":"10.1021/acs.iecr.4c02467","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02467","url":null,"abstract":"This study introduces an advanced methodology for optimizing catalytic coatings on microreactor walls used in the steam reforming of methane. By integrating computational fluid dynamics, data analytics, and multiobjective optimization, this approach significantly intensifies the process, reduces catalyst usage, and improves the economic and environmental aspects of hydrogen production. The challenge of identifying ideal catalytic coatings is addressed by employing surrogate functions created by extensive data sets from computational fluid dynamics and machine learning. These surrogate functions are rigorously validated, achieving 99.9% accuracy for both the total H2 production rate and the H2 production rate per coated surface area. The optimal catalyst coating demonstrates a 65.8% increase in the H2 production rate per coated surface area, yet a 9% increase in total entropy generation compared to a fully coated channel. These findings underscore significant opportunities to enhance the cost-effectiveness and sustainability of future microreactors through the optimization of discrete catalytic coatings.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142451897","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

Energy and Economic Evaluation of Wall Placement for Divided Wall Distillation Columns 分壁蒸馏塔壁布置的能量和经济性评估

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-10-21 DOI: 10.1021/acs.iecr.4c01691

Natalie J. Czarnecki, Lorenzo Giannetti, Scott A. Owens, Scott Barnicki, R. Bruce Eldridge

{"title":"Energy and Economic Evaluation of Wall Placement for Divided Wall Distillation Columns","authors":"Natalie J. Czarnecki, Lorenzo Giannetti, Scott A. Owens, Scott Barnicki, R. Bruce Eldridge","doi":"10.1021/acs.iecr.4c01691","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01691","url":null,"abstract":"Divided wall columns (DWC) implemented as a form of process intensification for conventional distillation configurations for azeotropic systems normally use an entrainer for breaking the azeotrope. By contrast, this study uses water/isopropanol/acetone as a model chemical system with the goal of having a water/isopropanol azeotropic composition as one of the products. The direct conventional and indirect conventional sequences and middle wall DWC, top wall DWC, and bottom wall DWC were investigated by Aspen Plus simulations, which allowed for product composition, economic, and energy usage comparison between the distillation configurations. The effect of wall placement on economics and energy usage was evaluated for the model chemical system. All of the distillation configurations produced the same product compositions with the middle wall DWC having the lowest associated economic and energy cost. The middle wall DWC had at least 8% fixed capital investment and 14% energy savings compared to the conventional sequences. The location of the dividing wall affected the economic and energy costs, with the middle wall DWC still having the lowest associated costs.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142452257","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

Study of a Novel W–Si Passivation Process for Lithium Copper Foils: Rational Utilization of the Polyhydroxy Structure Based on Sodium Gluconate 锂铜箔的新型 W-Si 钝化工艺研究：基于葡萄糖酸钠的多羟基结构的合理利用

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-10-21 DOI: 10.1021/acs.iecr.4c02332

Yong Liu, Lingjie Wang, Xin Ma, Shuai Wang, Hong Zhong, Zhanfang Cao, Liqing Li

{"title":"Study of a Novel W–Si Passivation Process for Lithium Copper Foils: Rational Utilization of the Polyhydroxy Structure Based on Sodium Gluconate","authors":"Yong Liu, Lingjie Wang, Xin Ma, Shuai Wang, Hong Zhong, Zhanfang Cao, Liqing Li","doi":"10.1021/acs.iecr.4c02332","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02332","url":null,"abstract":"The traditional chromate passivation process for lithium copper foils is hazardous and does not meet the requirements of green development. Therefore, in this study, utilizing the characteristics of gluconate coordinated with Cu2+, gluconate is adsorbed on the surface of copper foil, providing an anchor point for the action of JH-M902. Its rich hydroxyl structure (C–OH) and the Si–OH produced by the hydrolysis of JH-M902 dehydrate and condense to form Si–O–C. Then, WO42+ and Cu2+ formed by CuWO4 fill in the film layer. These three passivators synergistically construct a W–Si passivation film with excellent corrosion resistance. Electrochemical tests show that the corrosion inhibition rate of the passivated film is as high as 98.08%, which is much higher than that of the existing chromate passivation process. The process proposed in this study can promote the development of chrome-free passivation of lithium copper foil and provides new ideas for the protection of other metal materials.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142451937","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

Construction of Vertically Interconnected Microdiamond Channels Inspired by Subcutis for Thermal Conductivity Enhancement of Polymer Composite Films 受皮下组织启发构建垂直互联微金刚石通道，用于增强聚合物复合薄膜的导热性能

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-10-21 DOI: 10.1021/acs.iecr.4c02718

Mingqi Sun, Sai Zhang, Jing Fang, Xinru Li, WenXin Cao, XinZe Mao, Farao Zhang, Jiecai Han, Jiaqi Zhu

{"title":"Construction of Vertically Interconnected Microdiamond Channels Inspired by Subcutis for Thermal Conductivity Enhancement of Polymer Composite Films","authors":"Mingqi Sun, Sai Zhang, Jing Fang, Xinru Li, WenXin Cao, XinZe Mao, Farao Zhang, Jiecai Han, Jiaqi Zhu","doi":"10.1021/acs.iecr.4c02718","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02718","url":null,"abstract":"Polymeric composites with enhanced thermal conductivity are essential components for thermal management. Inspired by the stacked structure of adipose cells in the subcutis, we propose a strategy to construct a spatially interconnected thermal channel of microdiamonds (MDs) along vertical directions. In detail, a thermoplastic polyurethane (TPU)@MD core–shell structure was assembled via a microcladding method, which is utilized as reinforcement to fabricate the TPU@MD/poly(vinyl alcohol) (PVA) composite films through a doctor-blade coating technique. The resultant composite films exhibit a high through-plane thermal conductivity of 3.31 W/mK at a MD loading of 39 vol %, which is 195% higher than randomly dispersed composites. A two-step mathematical model was derived by the thermal resistance method to simultaneously analyze the mechanism of thermal conductivity enhancement. Meanwhile, the TPU@MD/PVA composites also reveal low dielectric loss. It is believed that this strategy to design and fabricate thermal interface materials with excellent properties provides effective guidance in thermal management applications.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142451909","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

In Situ Generated Hydrogels Exhibiting Simultaneous High-Temperature and High-Salinity Resistance for Deep Hydrocarbon Reservoir Exploitation 原位生成的水凝胶同时具有耐高温和耐高盐性能，可用于深层油气藏开发

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-10-19 DOI: 10.1021/acs.iecr.4c02319

Shiyuan Wang, Zhenghua Sun, Qi Zhu, Xiaoqin Cao, Yujun Feng, Hongyao Yin

{"title":"In Situ Generated Hydrogels Exhibiting Simultaneous High-Temperature and High-Salinity Resistance for Deep Hydrocarbon Reservoir Exploitation","authors":"Shiyuan Wang, Zhenghua Sun, Qi Zhu, Xiaoqin Cao, Yujun Feng, Hongyao Yin","doi":"10.1021/acs.iecr.4c02319","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02319","url":null,"abstract":"Hydrogels are extensively utilized in the upstream of the oil and gas industry, serving as plugging agents, fracturing fluids, and profile control materials. However, their limited resistance to high temperatures and high salinities poses a significant challenge that impedes their applications in deep reservoirs. Herein, 2-acrylamido-2-methylpropanesulfonic acid (AMPS) functionalized polyacrylamides P(AM-co-AMPS) with varying AMPS content from 0 to 75 mol % were designed, which were cross-linked with phenol formaldehyde resin in brine solutions containing 20% NaCl + 0–3.0% CaCl2. The relationship among salinity, AMPS molar content, and hydrogel performance has been systematically analyzed and discussed. The Ca2+ in brine could form supramolecular interaction with the carboxylate groups generated by hydrolysis, thereby forming a dual cross-linked network hydrogel. The dual cross-linked network of the hydrogel exhibits exceptional performance up to 160 °C in brine containing 20% NaCl and 3.0% CaCl2. This advancement could serve as an alternative solution for deep oil and gas reservoirs and provide valuable insights for designing novel polymer hydrogels with outstanding features such as high-temperature and high-salinity resistance, as well as delayed cross-linking capability.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142449749","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

The Copoisoning Effects of Antimony and Ammonium Bisulfate on Ceria-Based Catalysts for NOx Reduction 锑和硫酸氢铵对用于还原氮氧化物的铈基催化剂的异化作用

IF 4.2 3区工程技术

Industrial & Engineering Chemistry Research Pub Date : 2024-10-19 DOI: 10.1021/acs.iecr.4c02867

Wenhua Wang, Zhanpeng Luo, Guohua Zhao, Shumei Gao, Xiaoqiang Wang

引用次数: 0