Lithium dendrite growth, the loss of active lithium, and violent side reactions at the anode of lithium metal batteries lead to short cycle life and safety hazards, thus limiting their development and industrialization. In this work, we have deeply explored the effects of lithophilic materials loaded on different metal collector substrate materials on the lithium metal deposition behavior and electrochemical properties. We loaded two metal substrate materials, nickel foam and copper foam, with lithophilic substances and then comprehensively analyzed and summarized their structures, lithium deposition behaviors, and electrochemical properties. The results show that during lithium deposition, lithium in copper foam is mainly deposited on the surface of the copper foam skeleton, while in Ni foam, it tends to grow within the aperture and deposit at the bottom so that Ni foam better takes the advantage of the three-dimensional substrate. However, in terms of electrochemical performance of both materials and commercial lithium iron phosphate (LiFePO4) matched full batteries, copper foam showed better cycling performance in the later stages of the cycle.
{"title":"Study on the Mechanisms of Lithium Deposition on Different Three-Dimensional Current Collector Substrates","authors":"Yuanying Mao, Ao Wang, Zeng Zeng, Yifan Lin, Zhenguo Wu, Ting Chen, Xiaodong Guo","doi":"10.1021/acs.iecr.4c03019","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03019","url":null,"abstract":"Lithium dendrite growth, the loss of active lithium, and violent side reactions at the anode of lithium metal batteries lead to short cycle life and safety hazards, thus limiting their development and industrialization. In this work, we have deeply explored the effects of lithophilic materials loaded on different metal collector substrate materials on the lithium metal deposition behavior and electrochemical properties. We loaded two metal substrate materials, nickel foam and copper foam, with lithophilic substances and then comprehensively analyzed and summarized their structures, lithium deposition behaviors, and electrochemical properties. The results show that during lithium deposition, lithium in copper foam is mainly deposited on the surface of the copper foam skeleton, while in Ni foam, it tends to grow within the aperture and deposit at the bottom so that Ni foam better takes the advantage of the three-dimensional substrate. However, in terms of electrochemical performance of both materials and commercial lithium iron phosphate (LiFePO<sub>4</sub>) matched full batteries, copper foam showed better cycling performance in the later stages of the cycle.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142486493","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}
As a traditional block copolymer-type elastomer, the poly(styrene–butadiene–styrene) SBS elastomer has limited properties like weak heat/solvent/creep resistance and adhesive performance. In this work, the “melt-blending and ultraviolet (UV) post-treatment” method was used to activate a thiol–ene reaction between thiol-terminated boronic ester cross-linkers (BDB) and vinyl groups of SBS chains. In this way, it can effectively incorporate a dynamic boron–oxygen (B–O) network into SBS elastomers. When increasing the BDB content from 1 to 10 wt %, the gel content of SBS vitrimers varies from 18.76 to 83.91%. At the same time, the glass transition temperature (Tg) of the PB phase in SBS vitrimers increases from −87.87 to −73.25 °C and a rubbery plateau appears instead of an instant rupture when the temperature rises above the Tg of the PS phase. The stress relaxation behavior of all SBS vitrimers shows an Arrhenius-type temperature dependence, and the estimated bond-exchange activation energy (Ea) of SBS-BDB10 was 52.28 kJ/mol. Compared to the pure SBS elastomer, SBS vitrimeric elastomers show an increased Young’s modulus, creep resistance, and self-healing properties and maintain their rubber elasticity. Furthermore, the adhesive property to the metal was notably improved, achieving a lap-shear strength of up to 1.83 MPa. Therefore, it is demonstrated to obtain good reprocessability and improved physical properties via fabricating SBS vitrimers with dynamic B–O networks.
作为一种传统的嵌段共聚物型弹性体，聚（苯乙烯-丁二烯-苯乙烯）SBS 弹性体具有耐热性/耐溶剂性/耐蠕变性和粘合性能弱等有限特性。本研究采用 "熔融混合和紫外线（UV）后处理 "方法，激活硫醇封端硼酸酯交联剂（BDB）与 SBS 链乙烯基之间的硫醇烯反应。这样，就能有效地在 SBS 弹性体中加入动态硼-氧（B-O）网络。当 BDB 含量从 1 wt % 增加到 10 wt % 时，SBS 维拉米尔的凝胶含量从 18.76% 增加到 83.91%。同时，SBS 玻璃体中 PB 相的玻璃化转变温度（Tg）从 -87.87 ℃ 升至 -73.25 ℃，当温度升至 PS 相的 Tg 以上时，会出现橡胶高原，而不是瞬间断裂。所有 SBS 玻纤体的应力松弛行为都表现出阿伦尼乌斯型温度依赖性，SBS-BDB10 的键交换活化能（Ea）估计为 52.28 kJ/mol。与纯 SBS 弹性体相比，SBS 三元共聚弹性体的杨氏模量、抗蠕变性和自愈性都有所提高，并能保持橡胶弹性。此外，与金属的粘合性能也得到显著改善，搭接剪切强度高达 1.83 兆帕。因此，通过制造具有动态 B-O 网络的 SBS 玻璃层，可以获得良好的再加工性和更好的物理性能。
{"title":"Reprocessable and Self-Healable Boronic-Ester-Based SBS Vitrimers with Improved Thermomechanical Property and Adhesive Performance","authors":"Shilong Zhang, Chaobo Jiang, Ce Wang, Jialiang Li, Yuqi Ma, Yanling Zhu, Hua Deng, Yongsheng Zhao, Guangcheng Zhang","doi":"10.1021/acs.iecr.4c02983","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02983","url":null,"abstract":"As a traditional block copolymer-type elastomer, the poly(styrene–butadiene–styrene) SBS elastomer has limited properties like weak heat/solvent/creep resistance and adhesive performance. In this work, the “melt-blending and ultraviolet (UV) post-treatment” method was used to activate a thiol–ene reaction between thiol-terminated boronic ester cross-linkers (BDB) and vinyl groups of SBS chains. In this way, it can effectively incorporate a dynamic boron–oxygen (B–O) network into SBS elastomers. When increasing the BDB content from 1 to 10 wt %, the gel content of SBS vitrimers varies from 18.76 to 83.91%. At the same time, the glass transition temperature (<i>T</i><sub>g</sub>) of the PB phase in SBS vitrimers increases from −87.87 to −73.25 °C and a rubbery plateau appears instead of an instant rupture when the temperature rises above the <i>T</i><sub>g</sub> of the PS phase. The stress relaxation behavior of all SBS vitrimers shows an Arrhenius-type temperature dependence, and the estimated bond-exchange activation energy (<i>E</i><sub>a</sub>) of SBS-BDB10 was 52.28 kJ/mol. Compared to the pure SBS elastomer, SBS vitrimeric elastomers show an increased Young’s modulus, creep resistance, and self-healing properties and maintain their rubber elasticity. Furthermore, the adhesive property to the metal was notably improved, achieving a lap-shear strength of up to 1.83 MPa. Therefore, it is demonstrated to obtain good reprocessability and improved physical properties via fabricating SBS vitrimers with dynamic B–O networks.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142486489","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}
Pub Date : 2024-10-22DOI: 10.1021/acs.iecr.4c02220
Yan Hou, Jinggao Sun, Xing Liu, Ziqing Wei, Haitao Yang
In the field of industrial production, the precise and timely implementation of fault diagnosis methods is crucial for improving product quality, enhancing operational safety, reducing downtime, and minimizing losses. Recent studies have shown that most CNN-based fault diagnosis models are more suitable for handling Euclidean data such as images or videos but are not suitable for dealing with non-Euclidean sensor data. In practical industrial scenarios, chemical process data with imbalanced fault patterns may lead data-driven models to assign different attentions to fault patterns. The SMOTE algorithm is commonly used to generate new data, but it often tends to overfit when there are very few nearest neighbor samples. To address these issues, we designed an efficient fault diagnosis model named KRGAT. To fully utilize the spatial structural information on sensor data, we employed graph attention networks (GATs), which are well-suited for handling non-Euclidean data. Additionally, we introduced the top-k loss method to select hard samples, thereby increasing the weight of these samples. Furthermore, we improved DropMessage to enhance the model’s accuracy and robustness. Experimental results demonstrate that our model outperforms the baseline model under both balanced and imbalanced conditions.
在工业生产领域，准确及时地实施故障诊断方法对于提高产品质量、加强操作安全、减少停机时间和降低损失至关重要。最新研究表明，大多数基于 CNN 的故障诊断模型更适合处理图像或视频等欧几里得数据，但不适合处理非欧几里得传感器数据。在实际工业场景中，具有不平衡故障模式的化学过程数据可能会导致数据驱动模型对故障模式分配不同的关注点。SMOTE 算法常用于生成新数据，但当近邻样本极少时，该算法往往会出现过拟合。为解决这些问题，我们设计了一种名为 KRGAT 的高效故障诊断模型。为了充分利用传感器数据的空间结构信息，我们采用了图注意网络（GAT），它非常适合处理非欧几里得数据。此外，我们还引入了 top-k loss 方法来选择硬样本，从而提高这些样本的权重。此外，我们还改进了 DropMessage，以提高模型的准确性和鲁棒性。实验结果表明，在平衡和不平衡条件下，我们的模型都优于基线模型。
{"title":"An Industrial Fault Diagnosis Method Based on Graph Attention Network","authors":"Yan Hou, Jinggao Sun, Xing Liu, Ziqing Wei, Haitao Yang","doi":"10.1021/acs.iecr.4c02220","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02220","url":null,"abstract":"In the field of industrial production, the precise and timely implementation of fault diagnosis methods is crucial for improving product quality, enhancing operational safety, reducing downtime, and minimizing losses. Recent studies have shown that most CNN-based fault diagnosis models are more suitable for handling Euclidean data such as images or videos but are not suitable for dealing with non-Euclidean sensor data. In practical industrial scenarios, chemical process data with imbalanced fault patterns may lead data-driven models to assign different attentions to fault patterns. The SMOTE algorithm is commonly used to generate new data, but it often tends to overfit when there are very few nearest neighbor samples. To address these issues, we designed an efficient fault diagnosis model named KRGAT. To fully utilize the spatial structural information on sensor data, we employed graph attention networks (GATs), which are well-suited for handling non-Euclidean data. Additionally, we introduced the top-k loss method to select hard samples, thereby increasing the weight of these samples. Furthermore, we improved DropMessage to enhance the model’s accuracy and robustness. Experimental results demonstrate that our model outperforms the baseline model under both balanced and imbalanced conditions.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142486491","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}
Pub Date : 2024-10-22DOI: 10.1021/acs.iecr.4c02669
Daniela Yumi Sugai, Ivan Ricardo de Barros, Cristina Benincá, Everton Fernando Zanoelo
In this study, a Hoffman cell with a 4.28 M NaCl solution at 298 K and initial pH ∼ 6 was operated at 0.1 A and ∼16 V to identify the main redox reactions on the surface of the graphite anode and cathode. The measured volumes of evolved gas and the concentration of free chlorine in the anode cell revealed that H2O, graphite, and Cl– were oxidized to form O2(g), CO2(g), and Cl2(g) at current efficiencies accurately determined. The recorded volume of gas at the cathode indicated that the major reaction in this cell was the electrochemical (EC) reduction of H2O to form H2(g) at a current efficiency close to unity. Experiments of consumption of tartrazine azo dye with graphite electrodes were also carried out in reactors with divided and undivided EC cells at potentials ≥8 V, at different NaCl concentrations (2.74, 5.13 × 10–3 and 2.57 × 10–3 M) and currents (0.1 and 0.2 A). Tartrazine was almost completely removed from the solution by both anodic oxidation (direct and indirect) and cathodic reduction and at times markedly decreased as the concentration of NaCl and current increased. The kinetics of tartrazine consumption, pH change, and anode consumption under all the considered conditions was properly described by a model involving heterogeneous and homogeneous reactions. The main innovative aspect of the model was the suggested individual rate expressions for the in situ electrogeneration of O2(g), CO2(g), and Cl2(g) on the surface of graphite anodes as a function of the concentration of Cl–. Scanning electron microscopy/energy-dispersive X-ray, total organic carbon, and spectrophotometric analyses confirmed graphite oxide as one of the products of C(s) oxidation at the anode, and aromatic species, with CO2(g) and H2O in low yields, as products of the redox reactions of tartrazine.
{"title":"Role of Graphite Electrodes for Removal of Persistent Contaminants in Electrochemical Systems with Chloride Salts as an Electrolyte: A Case Study of Disappearance of an Azo Dye","authors":"Daniela Yumi Sugai, Ivan Ricardo de Barros, Cristina Benincá, Everton Fernando Zanoelo","doi":"10.1021/acs.iecr.4c02669","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02669","url":null,"abstract":"In this study, a Hoffman cell with a 4.28 M NaCl solution at 298 K and initial pH ∼ 6 was operated at 0.1 A and ∼16 V to identify the main redox reactions on the surface of the graphite anode and cathode. The measured volumes of evolved gas and the concentration of free chlorine in the anode cell revealed that H<sub>2</sub>O, graphite, and Cl<sup>–</sup> were oxidized to form O<sub>2</sub>(g), CO<sub>2</sub>(g), and Cl<sub>2</sub>(g) at current efficiencies accurately determined. The recorded volume of gas at the cathode indicated that the major reaction in this cell was the electrochemical (EC) reduction of H<sub>2</sub>O to form H<sub>2</sub>(g) at a current efficiency close to unity. Experiments of consumption of tartrazine azo dye with graphite electrodes were also carried out in reactors with divided and undivided EC cells at potentials ≥8 V, at different NaCl concentrations (2.74, 5.13 × 10<sup>–3</sup> and 2.57 × 10<sup>–3</sup> M) and currents (0.1 and 0.2 A). Tartrazine was almost completely removed from the solution by both anodic oxidation (direct and indirect) and cathodic reduction and at times markedly decreased as the concentration of NaCl and current increased. The kinetics of tartrazine consumption, pH change, and anode consumption under all the considered conditions was properly described by a model involving heterogeneous and homogeneous reactions. The main innovative aspect of the model was the suggested individual rate expressions for the in situ electrogeneration of O<sub>2</sub>(g), CO<sub>2</sub>(g), and Cl<sub>2</sub>(g) on the surface of graphite anodes as a function of the concentration of Cl<sup>–</sup>. Scanning electron microscopy/energy-dispersive X-ray, total organic carbon, and spectrophotometric analyses confirmed graphite oxide as one of the products of C(s) oxidation at the anode, and aromatic species, with CO<sub>2</sub>(g) and H<sub>2</sub>O in low yields, as products of the redox reactions of tartrazine.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142487163","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}
Pub Date : 2024-10-22DOI: 10.1021/acs.iecr.4c02322
Umair Baig, Abdul Waheed, Gheorghe Falca, Shadi W. Hasan, Isam H. Aljundi
Treating oily wastewater/sewage coming from industry and domestic supplies is an enormous challenge, as well as an opportunity in disguise. An efficient treatment technology can not only treat but also generate high-quality product water, which can be reused for several applications. Given the extremely complex nature of oily wastewater/sewage, we have designed and fabricated a highly durable and recyclable semipilot scale ceramic/polymeric membrane by using a simple and scalable approach. In contrast to various lab-scale studies using dead-end and gravity-driven treatment of oily wastewater, a semipilot scale cross-flow filtration system was used in the current study. A zirconia/alumina multichannel tubular ceramic membrane was used as a microfiltration membrane and a polypyrrole active layer was grown onto the multichannel tubular ceramic membrane by simple iron chloride-catalyzed oxidative polymerization of an aqueous solution of a pyrrole monomer. The resultant membrane showed highly desirable features required for treating emulsified oily wastewater streams which include surface super hydrophilicity and underwater superoleophobicity determined by the underwater–oil contact angle of θO,W = 161.5°. These features allow the development of a strong hydration layer on the membrane surface, preferably allowing water to permeate while impeding the passage of oil through the membrane. Hence, the fabricated membrane demonstrated high separation efficiency in treating emulsified oily wastewater where >99% of the oil was retained by the membrane with a pure water permeance of 66.7 L m–2 h–1 bar–1. Moreover, the stability tests and cleaning cycles also highlighted the remarkable performance of the membranes under cross-flow filtration conditions.
处理来自工业和生活供应的含油废水/污水是一项巨大的挑战，同时也是一个变相的机遇。高效的处理技术不仅能处理含油废水/污水，还能产生高质量的产品水，可重复用于多种用途。鉴于含油废水/污水极其复杂的性质，我们采用一种简单且可扩展的方法，设计并制造了一种高度耐用且可回收的半试验规模陶瓷/聚合物膜。与采用死角和重力驱动处理含油废水的各种实验室规模研究不同，本研究采用了半试验规模的错流过滤系统。使用氧化锆/氧化铝多通道管状陶瓷膜作为微滤膜，并通过简单的氯化铁催化吡咯单体水溶液的氧化聚合，在多通道管状陶瓷膜上生长聚吡咯活性层。这种膜具有处理乳化含油废水所需的非常理想的特性，包括表面超亲水性和水下超疏油性（由水下油接触角θO,W = 161.5°确定）。这些特性使膜表面形成了一个强大的水合层，最好能让水渗透，同时阻碍油通过膜。因此，制成的膜在处理乳化含油废水时表现出很高的分离效率，99% 的油被膜截留，纯水渗透率为 66.7 L m-2 h-1 bar-1。此外，稳定性测试和清洗循环也凸显了膜在错流过滤条件下的卓越性能。
{"title":"Simple and Scalable Approach for Fabrication of a Durable Conjugated Polymer-Decorated Multichannel Tubular Ceramic Membrane with Superoleophobic (Underwater) and Superhydrophilic Surface for Treatment of Oily Wastewater","authors":"Umair Baig, Abdul Waheed, Gheorghe Falca, Shadi W. Hasan, Isam H. Aljundi","doi":"10.1021/acs.iecr.4c02322","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02322","url":null,"abstract":"Treating oily wastewater/sewage coming from industry and domestic supplies is an enormous challenge, as well as an opportunity in disguise. An efficient treatment technology can not only treat but also generate high-quality product water, which can be reused for several applications. Given the extremely complex nature of oily wastewater/sewage, we have designed and fabricated a highly durable and recyclable semipilot scale ceramic/polymeric membrane by using a simple and scalable approach. In contrast to various lab-scale studies using dead-end and gravity-driven treatment of oily wastewater, a semipilot scale cross-flow filtration system was used in the current study. A zirconia/alumina multichannel tubular ceramic membrane was used as a microfiltration membrane and a polypyrrole active layer was grown onto the multichannel tubular ceramic membrane by simple iron chloride-catalyzed oxidative polymerization of an aqueous solution of a pyrrole monomer. The resultant membrane showed highly desirable features required for treating emulsified oily wastewater streams which include surface super hydrophilicity and underwater superoleophobicity determined by the underwater–oil contact angle of θ<sub>O,W</sub> = 161.5°. These features allow the development of a strong hydration layer on the membrane surface, preferably allowing water to permeate while impeding the passage of oil through the membrane. Hence, the fabricated membrane demonstrated high separation efficiency in treating emulsified oily wastewater where >99% of the oil was retained by the membrane with a pure water permeance of 66.7 L m<sup>–2</sup> h<sup>–1</sup> bar<sup>–1</sup>. Moreover, the stability tests and cleaning cycles also highlighted the remarkable performance of the membranes under cross-flow filtration conditions.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142486542","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}
Pub Date : 2024-10-22DOI: 10.1021/acs.iecr.4c02174
A. Constantinou, S. Hafeez, E. Harkou, P. Adamou, E. Pallari, G. Manos, A. Webb, R. Kotha, O. V. Morgen, L. E. Walls, L. Ríos-Solís, R. Dewil, S. M. Al-Salem
Biomass has been highlighted as an increasingly important renewable alternative energy source. Nonrenewable conventional energy sources covering global energy demands are processed to form solid, liquid, and gaseous hydrocarbons. Their environmental impact has led to the exploration of different types of biomasses for their potential to be used as raw materials. The present work reviews thermochemical processes, including pyrolysis, gasification, liquefaction, and torrefaction, on the conversion of biomass and plastic waste to gas, liquid, and solid fuels and chemicals. Upgrading some of the characteristics of bio-oil with various technologies has increased the interest in commercializing the usage of biomass in applications. In addition, biological conversion of biomass using second-generation feedstock instead of first-generation feedstock has decreased the cost and competition with food crops. The pretreatment of biomass using physical, chemical, physicochemical, and biological technologies is a typical process before biological conversion. Moreover, this work discusses biofuel production using syngas as feedstock through the Fischer–Tropsch process and organic acids as a feedstock for oleaginous microorganisms, including many species of yeast, bacteria, and algae.
{"title":"Fuel Quality from Thermochemical Conversion and Biological Treatment of Biomass","authors":"A. Constantinou, S. Hafeez, E. Harkou, P. Adamou, E. Pallari, G. Manos, A. Webb, R. Kotha, O. V. Morgen, L. E. Walls, L. Ríos-Solís, R. Dewil, S. M. Al-Salem","doi":"10.1021/acs.iecr.4c02174","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02174","url":null,"abstract":"Biomass has been highlighted as an increasingly important renewable alternative energy source. Nonrenewable conventional energy sources covering global energy demands are processed to form solid, liquid, and gaseous hydrocarbons. Their environmental impact has led to the exploration of different types of biomasses for their potential to be used as raw materials. The present work reviews thermochemical processes, including pyrolysis, gasification, liquefaction, and torrefaction, on the conversion of biomass and plastic waste to gas, liquid, and solid fuels and chemicals. Upgrading some of the characteristics of bio-oil with various technologies has increased the interest in commercializing the usage of biomass in applications. In addition, biological conversion of biomass using second-generation feedstock instead of first-generation feedstock has decreased the cost and competition with food crops. The pretreatment of biomass using physical, chemical, physicochemical, and biological technologies is a typical process before biological conversion. Moreover, this work discusses biofuel production using syngas as feedstock through the Fischer–Tropsch process and organic acids as a feedstock for oleaginous microorganisms, including many species of yeast, bacteria, and algae.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142486454","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}
Pub Date : 2024-10-22DOI: 10.1021/acs.iecr.4c02235
Jesús Parrilla, Inalmar Dantas Barbosa Segundo, Carmen María Fernández Marchante, Elisama Vieira Dos Santos, Justo Lobato, Suely S. L. Castro, Carlos Alberto Martínez-Huitle, Manuel Andrés Rodrigo
This work describes results of a first proof of the concept of electrorefinery with a real waste obtained from a cashew nut factory, and it shows the effect of the current densities of both the anodic oxidation and electrochemically assisted separation processes on the performance of the system. Results obtained demonstrate that electrorefinery is a promising option to minimize the carbon fingerprint, worth studying for increasing the sustainability of the environmental remediation of wastes, because valuable species can be obtained from the destruction of pollutants and recovered within the same integrated process. They also point out that there is still a long way to reach an optimum solution for this technology, but it is worth the effort to be made. Many different carboxylates were detected, but oxalate was the primary product both in the reaction tank and in the recovery tank. The production is almost linear during the electrolysis, with a reaction rate of 23.3 mg C h–1 in the case of oxalate and a separation ration of around 20% in the electrodialysis stage. There is a negligible crossover of aromatic species into the recovery solution, which becomes an important advantage for further processing of the carboxylate solutions in the search to valorize these species in terms of circular economy principles. Energy efficiencies in the range of 0.04–0.21 mg C-carboxylates (Wh)−1 and Coulombic efficiencies in the range 0.92–2.03 mg C-carboxylates (Ah)−1 were obtained in this work. A life cycle assessment indicated carbon dioxide and water footprints as low as 0.31 g of CO2 mg–1 C and 30 mL of H2O mg–1 C recovered in the products obtained, respectively.
{"title":"Proof of Concept for the Organic Electrorefinery Technology with Actual Effluents","authors":"Jesús Parrilla, Inalmar Dantas Barbosa Segundo, Carmen María Fernández Marchante, Elisama Vieira Dos Santos, Justo Lobato, Suely S. L. Castro, Carlos Alberto Martínez-Huitle, Manuel Andrés Rodrigo","doi":"10.1021/acs.iecr.4c02235","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02235","url":null,"abstract":"This work describes results of a first proof of the concept of electrorefinery with a real waste obtained from a cashew nut factory, and it shows the effect of the current densities of both the anodic oxidation and electrochemically assisted separation processes on the performance of the system. Results obtained demonstrate that electrorefinery is a promising option to minimize the carbon fingerprint, worth studying for increasing the sustainability of the environmental remediation of wastes, because valuable species can be obtained from the destruction of pollutants and recovered within the same integrated process. They also point out that there is still a long way to reach an optimum solution for this technology, but it is worth the effort to be made. Many different carboxylates were detected, but oxalate was the primary product both in the reaction tank and in the recovery tank. The production is almost linear during the electrolysis, with a reaction rate of 23.3 mg C h<sup>–1</sup> in the case of oxalate and a separation ration of around 20% in the electrodialysis stage. There is a negligible crossover of aromatic species into the recovery solution, which becomes an important advantage for further processing of the carboxylate solutions in the search to valorize these species in terms of circular economy principles. Energy efficiencies in the range of 0.04–0.21 mg C-carboxylates (Wh)<sup>−1</sup> and Coulombic efficiencies in the range 0.92–2.03 mg C-carboxylates (Ah)<sup>−1</sup> were obtained in this work. A life cycle assessment indicated carbon dioxide and water footprints as low as 0.31 g of CO<sub>2</sub> mg<sup>–1</sup> C and 30 mL of H<sub>2</sub>O mg<sup>–1</sup> C recovered in the products obtained, respectively.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142486494","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}
Pub Date : 2024-10-22DOI: 10.1021/acs.iecr.4c02009
Jonathan D. Saathoff, Amy C. Clingenpeel, Stuart E. Smith, Kazem V. Edmond, Clarence E. Chase, Adam S. Gross
Carbonaceous mesophase is a liquid crystalline material that can form as petroleum is pyrolyzed into coke. The material is thought to be made up of discotic mesogens in the form of planar, polyaromatic molecules. Researchers have previously developed thermodynamic models to predict mesophase formation in different feeds based on molecular weight, independent of the chemical structures found in any given sample of material. Using Fourier transform ion cyclotron resonance mass spectroscopy (FT-ICR MS), we were able to observe how the elemental compositions of hydrocarbon molecules evolved with thermal treatment. Using this information, we devised a new approach for modeling petroleum-based liquid crystal phase behavior using both molecular weight and elemental compositions to describe the material’s composition. This approach permits molecules of large molecular weight to not automatically be considered mesogens and for nonideal solution behavior and mesophase content to be parametrized independently. Through comparing different methods, we also demonstrated the important role nonideal solution effects have on the calculated phase behavior as well as the impact of pseudocomponent number on the size of the mesophase coexistence region. Further theoretical and experimental work is needed to develop more general, predictive models.
{"title":"Modeling Carbonaceous Mesophase Thermodynamics Using Measured Elemental Compositions","authors":"Jonathan D. Saathoff, Amy C. Clingenpeel, Stuart E. Smith, Kazem V. Edmond, Clarence E. Chase, Adam S. Gross","doi":"10.1021/acs.iecr.4c02009","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02009","url":null,"abstract":"Carbonaceous mesophase is a liquid crystalline material that can form as petroleum is pyrolyzed into coke. The material is thought to be made up of discotic mesogens in the form of planar, polyaromatic molecules. Researchers have previously developed thermodynamic models to predict mesophase formation in different feeds based on molecular weight, independent of the chemical structures found in any given sample of material. Using Fourier transform ion cyclotron resonance mass spectroscopy (FT-ICR MS), we were able to observe how the elemental compositions of hydrocarbon molecules evolved with thermal treatment. Using this information, we devised a new approach for modeling petroleum-based liquid crystal phase behavior using both molecular weight and elemental compositions to describe the material’s composition. This approach permits molecules of large molecular weight to not automatically be considered mesogens and for nonideal solution behavior and mesophase content to be parametrized independently. Through comparing different methods, we also demonstrated the important role nonideal solution effects have on the calculated phase behavior as well as the impact of pseudocomponent number on the size of the mesophase coexistence region. Further theoretical and experimental work is needed to develop more general, predictive models.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142486490","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}
Pub Date : 2024-10-22DOI: 10.1021/acs.iecr.4c01984
Chuhan Zhang, Yanchang Chu, Linying Fu, Qiuyue Wang, Rui Ma, Donghai Xu, Le Yang
Lignin, a renewable resource rich in aromatic ring structures in nature, is an ideal natural source to produce aromatic compounds and cycloparaffin. Herein, we prepare MOF-derived Ni–MoxC/C and Co–MoxC/C as catalysts for the depolymerization of lignin and dimeric model compounds. Diphenyl ether (DPE) with 4-O-5 bond, benzyl phenyl ether (BPE) with α-O-4, and phenethyl phenyl ether (PPE) with β-O-4 are chosen as dimeric model compounds. Overall, Ni–MoxC/C and Co–MoxC/C show distinguished different activity toward product distribution. Ni–MoxC/C facilitates both C–O bond cleavage and hydrogenation of the benzene ring, and the main products are ethyl cyclohexane and cyclohexanol for all three model compounds. In contrast, Co–MoxC/C only facilitates C–O bond cleavage and obtains phenol and ethylbenzene as products. Similarly, for the depolymerization of lignin, cycloparaffins are obtained on Ni–MoxC/C, while phenol, guaiacol, 2,6-dimethoxyphenol, and their respective derivatives are obtained on Co–MoxC/C.
{"title":"Hydrogenation Product Regulation for C–O Bond Cleavage of Lignin and Its Dimeric Model Compounds on Ni–MoxC/C and Co–MoxC/C","authors":"Chuhan Zhang, Yanchang Chu, Linying Fu, Qiuyue Wang, Rui Ma, Donghai Xu, Le Yang","doi":"10.1021/acs.iecr.4c01984","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01984","url":null,"abstract":"Lignin, a renewable resource rich in aromatic ring structures in nature, is an ideal natural source to produce aromatic compounds and cycloparaffin. Herein, we prepare MOF-derived Ni–Mo<sub><i>x</i></sub>C/C and Co–Mo<sub><i>x</i></sub>C/C as catalysts for the depolymerization of lignin and dimeric model compounds. Diphenyl ether (DPE) with 4-O-5 bond, benzyl phenyl ether (BPE) with α-O-4, and phenethyl phenyl ether (PPE) with β-O-4 are chosen as dimeric model compounds. Overall, Ni–Mo<sub><i>x</i></sub>C/C and Co–Mo<sub><i>x</i></sub>C/C show distinguished different activity toward product distribution. Ni–Mo<sub><i>x</i></sub>C/C facilitates both C–O bond cleavage and hydrogenation of the benzene ring, and the main products are ethyl cyclohexane and cyclohexanol for all three model compounds. In contrast, Co–Mo<sub><i>x</i></sub>C/C only facilitates C–O bond cleavage and obtains phenol and ethylbenzene as products. Similarly, for the depolymerization of lignin, cycloparaffins are obtained on Ni–Mo<sub><i>x</i></sub>C/C, while phenol, guaiacol, 2,6-dimethoxyphenol, and their respective derivatives are obtained on Co–Mo<sub><i>x</i></sub>C/C.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142486453","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}
Pub Date : 2024-10-22DOI: 10.1021/acs.iecr.4c02590
Hao Ni, Mingjun Pang
To promote the development of an ultrasonic levitation technique, it is essential to understand the mechanism of bubble motion in ultrasonic standing wave fields. The trajectory of bubble motion, the levitation position, and the accompanying change in the surrounding flow field were investigated. The effects of sound pressure amplitude pa, acoustic frequency f, bubble radius Rb, and gravity level G/g on bubble motion were fully analyzed. It was found that the bubble levitation position y/λ decreases with an increase in pa but it increases with an increase in Rb, f, and G/g. The chaos of flow fields increases with an increase in pa, Rb, and f, but it decreases first and then increases with an increase in G/g. The time required for a bubble to remain in levitation and the flow field to be steady decreases with an increase in pa and Rb, but it increases first and then decreases with an increase in f and G/g. Based on the equilibrium relationship between the time-averaged primary Bjerknes force FBj and buoyancy force Fbuoy, a dimensionless parameter X is proposed to determine whether or not a bubble will remain in levitation, and the equation to predict bubble levitation position is presented.
为了促进超声悬浮技术的发展，了解超声驻波场中气泡运动的机理至关重要。我们研究了气泡的运动轨迹、悬浮位置以及周围流场的相应变化。全面分析了声压振幅 pa、声频 f、气泡半径 Rb 和重力水平 G/g 对气泡运动的影响。研究发现，气泡悬浮位置 y/λ 随 pa 的增大而减小，但随 Rb、f 和 G/g 的增大而增大。流场的混沌度随 pa、Rb 和 f 的增大而增大，但随着 G/g 的增大先减小后增大。气泡保持悬浮和流场稳定所需的时间随 pa 和 Rb 的增大而减小，但随 f 和 G/g 的增大而先增大后减小。根据时间平均主要比氏力 FBj 和浮力 Fbuoy 之间的平衡关系，提出了一个无量纲参数 X 来确定气泡是否保持悬浮状态，并给出了预测气泡悬浮位置的方程。
{"title":"Direct Numerical Simulation of Quasispherical Bubble Motion in Ultrasonic Standing Wave Fields","authors":"Hao Ni, Mingjun Pang","doi":"10.1021/acs.iecr.4c02590","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02590","url":null,"abstract":"To promote the development of an ultrasonic levitation technique, it is essential to understand the mechanism of bubble motion in ultrasonic standing wave fields. The trajectory of bubble motion, the levitation position, and the accompanying change in the surrounding flow field were investigated. The effects of sound pressure amplitude <i>p</i><sub><i>a</i></sub>, acoustic frequency <i>f</i>, bubble radius <i>R</i><sub>b</sub>, and gravity level <i>G/g</i> on bubble motion were fully analyzed. It was found that the bubble levitation position <i>y/λ</i> decreases with an increase in <i>p</i><sub><i>a</i></sub> but it increases with an increase in <i>R</i><sub><i>b</i></sub>, <i>f,</i> and <i>G/g</i>. The chaos of flow fields increases with an increase in <i>p</i><sub><i>a</i></sub>, <i>R<sub>b</sub>,</i> and <i>f</i>, but it decreases first and then increases with an increase in <i>G/g</i>. The time required for a bubble to remain in levitation and the flow field to be steady decreases with an increase in <i>p</i><sub><i>a</i></sub> and <i>R</i><sub><i>b</i></sub>, but it increases first and then decreases with an increase in <i>f</i> and <i>G/g</i>. Based on the equilibrium relationship between the time-averaged primary Bjerknes force <b><i>F</i><sub><i>Bj</i></sub></b> and buoyancy force <b><i>F</i><sub><i>buoy</i></sub></b>, a dimensionless parameter <i>X</i> is proposed to determine whether or not a bubble will remain in levitation, and the equation to predict bubble levitation position is presented.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142486488","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}
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