Although ionic liquids are attractive pretreatment solvents, their high toxicity inhibits enzyme and yeast activity. The present study focused on low-toxicity zwitterions to produce bioethanol in one pot by successive pretreatment, hydrolysis, and fermentation in a single container (one-pot bioethanol production). However, an optimal zwitterion design has not yet been developed. We investigated the pretreatment ability, inhibitory effect on cellulase activity, and toxicity to yeast of zwitterions with varying structures (cations, anions, and spacers) for the first time. This study provides guidelines for designing zwitterionic structures for one-pot bioethanol production. Among the zwitterions studied, C1imC5C, consisting of an imidazolium cation, a carboxylate anion, and 5-carbon-length spacer, showed the highest pretreatment ability, followed by C1imC3C (an analogue with 3-carbon-length spacer). Cation structures affected both delignification and decrystallization abilities, whereas anion structures and spacer lengths primarily affected delignification and decrystallization abilities, respectively. C1imC5C showed a high inhibition of enzyme activity. None of the zwitterions showed strong toxicity toward yeast. Overall, C1imC3C is determined as the promising prototype for zwitterion design in one-pot bioethanol production from the viewpoints of pretreatment, enzymatic hydrolysis, and fermentation. In the future, this skeletal structure could be used as a prototype to better design zwitterions suitable for one-pot ethanol production.
{"title":"Guidelines of Designing Zwitterions for One-Pot Bioethanol Production from Biomass","authors":"Hitomi Tobe, Ayumi Hachisu, Kenji Takahashi, Kazuaki Ninomiya, Akio Ohta, Kosuke Kuroda","doi":"10.1021/acs.iecr.4c00975","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c00975","url":null,"abstract":"Although ionic liquids are attractive pretreatment solvents, their high toxicity inhibits enzyme and yeast activity. The present study focused on low-toxicity zwitterions to produce bioethanol in one pot by successive pretreatment, hydrolysis, and fermentation in a single container (one-pot bioethanol production). However, an optimal zwitterion design has not yet been developed. We investigated the pretreatment ability, inhibitory effect on cellulase activity, and toxicity to yeast of zwitterions with varying structures (cations, anions, and spacers) for the first time. This study provides guidelines for designing zwitterionic structures for one-pot bioethanol production. Among the zwitterions studied, C<sub>1</sub>imC<sub>5</sub>C, consisting of an imidazolium cation, a carboxylate anion, and 5-carbon-length spacer, showed the highest pretreatment ability, followed by C<sub>1</sub>imC<sub>3</sub>C (an analogue with 3-carbon-length spacer). Cation structures affected both delignification and decrystallization abilities, whereas anion structures and spacer lengths primarily affected delignification and decrystallization abilities, respectively. C<sub>1</sub>imC<sub>5</sub>C showed a high inhibition of enzyme activity. None of the zwitterions showed strong toxicity toward yeast. Overall, C<sub>1</sub>imC<sub>3</sub>C is determined as the promising prototype for zwitterion design in one-pot bioethanol production from the viewpoints of pretreatment, enzymatic hydrolysis, and fermentation. In the future, this skeletal structure could be used as a prototype to better design zwitterions suitable for one-pot ethanol production.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141489737","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}
Here, a dimensionless empirical parameter is proposed to comprehensively evaluate the foaming properties of high-viscosity non-Newtonian surfactant fluids. Rheological measurements were used to probe the viscosity, viscoelasticity, and viscous flow activation energies of the materials. Additionally, an advanced Focused Beam Reflectance Measurement (FBRM) online characterization technique, in conjunction with traditional microscopic observations, was used to quantitatively examine the generation, distribution, and destabilization of bubbles during the foaming process. This is the first time that the FBRM technique has been used for online quantitative analysis of bubble distribution. Three dimensionless parameters were proposed to describe the foaming properties of the fluids, namely the volume fraction of gas, Φ, the coefficient of dispersion of the bubble size distribution, c, and the fraction of span change for 10 min, Δs. These properties represent the foam generativity, dispersibility, and stability, respectively. A dimensionless parameter, the foaming property index (FPI), is proposed to provide an overall evaluation of the foaming behavior based on the intrinsic properties of the fluid. Finally, the results of foaming experiments under the same mixing conditions demonstrated that the index provides a simple and reliable estimate of foaming performance, which is expected to aid in the industrial design of foaming unit operations for non-Newtonian fluids.
本文提出了一种无量纲经验参数，用于全面评估高粘度非牛顿表面活性剂流体的发泡特性。流变学测量用于探测材料的粘度、粘弹性和粘流活化能。此外，先进的聚焦光束反射测量（FBRM）在线表征技术与传统的显微镜观察相结合，用于定量检测发泡过程中气泡的产生、分布和不稳定性。这是首次使用 FBRM 技术对气泡分布进行在线定量分析。提出了三个无量纲参数来描述流体的发泡特性，即气体体积分数 Φ、气泡大小分布的分散系数 c 和 10 分钟跨度变化分数 Δs。这些属性分别代表了泡沫的生成性、分散性和稳定性。此外，还提出了一个无量纲参数--发泡特性指数（FPI），用于根据流体的内在特性对发泡行为进行整体评估。最后，在相同混合条件下进行的发泡实验结果表明，该指数可对发泡性能进行简单而可靠的估算，预计将有助于非牛顿流体发泡装置操作的工业设计。
{"title":"Evaluating the Foaming Behavior of High-Viscosity Non-Newtonian Fluids","authors":"Jiahao Zhang, Zhendong Zhu, Feihong Wang, Wenhui Feng, Hongyuan Wei, Leping Dang","doi":"10.1021/acs.iecr.4c00568","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c00568","url":null,"abstract":"Here, a dimensionless empirical parameter is proposed to comprehensively evaluate the foaming properties of high-viscosity non-Newtonian surfactant fluids. Rheological measurements were used to probe the viscosity, viscoelasticity, and viscous flow activation energies of the materials. Additionally, an advanced Focused Beam Reflectance Measurement (FBRM) online characterization technique, in conjunction with traditional microscopic observations, was used to quantitatively examine the generation, distribution, and destabilization of bubbles during the foaming process. This is the first time that the FBRM technique has been used for online quantitative analysis of bubble distribution. Three dimensionless parameters were proposed to describe the foaming properties of the fluids, namely the volume fraction of gas, Φ, the coefficient of dispersion of the bubble size distribution, <i>c</i>, and the fraction of span change for 10 min, Δ<i>s</i>. These properties represent the foam generativity, dispersibility, and stability, respectively. A dimensionless parameter, the foaming property index (FPI), is proposed to provide an overall evaluation of the foaming behavior based on the intrinsic properties of the fluid. Finally, the results of foaming experiments under the same mixing conditions demonstrated that the index provides a simple and reliable estimate of foaming performance, which is expected to aid in the industrial design of foaming unit operations for non-Newtonian fluids.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141489775","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}
Simultaneously achieving high strength and toughness is a dilemma for most high-performance materials, especially solidified epoxy resins (ERs). Here, we used a sustainably sourced tannic acid (TA) molecule, a natural polyphenol hyperbranched polyester, as both a reinforcing and toughening agent for preparing high-strength epoxy adhesives with increased toughness. Benefiting from a highly branched structure and abundant active phenolic hydroxyl groups, TA molecules can be functionalized as multiple physiochemical cross-linking points for generating high-performance ERs. The optimal TA-modified ER (TA/ER-3) shows a high tensile strength of 112.2 ± 3.6 MPa and a high elongation at break of 3.7 ± 0.20%, illustrating increased tensile strength by 37.2% and elongation at break by 32.4% compared with pristine ERs, respectively. Combining scanning electron microscopy and dynamic mechanical analysis reveals that the TA molecules not only promote the curing and cross-linking reaction of epoxy resin but also possess good interface interaction with the matrix, which tune the cross-linking density and dissipate fracture energy through deformation, resulting in strengthening and toughening ERs. This work offers sustainably sourced additives for developing high-performance epoxy adhesives, which can be extended to reinforce other types of polymers or nanomaterials.
对于大多数高性能材料，尤其是固化环氧树脂（ER）来说，同时获得高强度和韧性是一个难题。在这里，我们利用可持续来源的单宁酸（TA）分子（一种天然多酚超支化聚酯）作为增强剂和增韧剂，制备出了具有更高韧性的高强度环氧树脂粘合剂。得益于高度支化的结构和丰富的活性酚羟基，TA 分子可被功能化为多个理化交联点，从而生成高性能的 ER。最佳的 TA 改性 ER（TA/ER-3）的拉伸强度高达 112.2 ± 3.6 MPa，断裂伸长率高达 3.7 ± 0.20%，与原始 ER 相比，拉伸强度提高了 37.2%，断裂伸长率提高了 32.4%。结合扫描电子显微镜和动态力学分析表明，TA 分子不仅能促进环氧树脂的固化和交联反应，还能与基体产生良好的界面相互作用，从而调节交联密度并通过形变耗散断裂能量，实现ER 的增强和增韧。这项工作为开发高性能环氧树脂粘合剂提供了可持续来源的添加剂，这种添加剂可扩展用于增强其他类型的聚合物或纳米材料。
{"title":"Sustainably Sourced Tannic Acid Enables Fast-Curing High-Strength Epoxy Adhesives with Increased Toughness","authors":"Yuming Bo, Anru Guo, Baojiang Hou, Heng Zhao, Baochen Han, Dong Liu","doi":"10.1021/acs.iecr.4c01611","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01611","url":null,"abstract":"Simultaneously achieving high strength and toughness is a dilemma for most high-performance materials, especially solidified epoxy resins (ERs). Here, we used a sustainably sourced tannic acid (TA) molecule, a natural polyphenol hyperbranched polyester, as both a reinforcing and toughening agent for preparing high-strength epoxy adhesives with increased toughness. Benefiting from a highly branched structure and abundant active phenolic hydroxyl groups, TA molecules can be functionalized as multiple physiochemical cross-linking points for generating high-performance ERs. The optimal TA-modified ER (TA/ER-3) shows a high tensile strength of 112.2 ± 3.6 MPa and a high elongation at break of 3.7 ± 0.20%, illustrating increased tensile strength by 37.2% and elongation at break by 32.4% compared with pristine ERs, respectively. Combining scanning electron microscopy and dynamic mechanical analysis reveals that the TA molecules not only promote the curing and cross-linking reaction of epoxy resin but also possess good interface interaction with the matrix, which tune the cross-linking density and dissipate fracture energy through deformation, resulting in strengthening and toughening ERs. This work offers sustainably sourced additives for developing high-performance epoxy adhesives, which can be extended to reinforce other types of polymers or nanomaterials.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141489702","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 : 2024-06-29DOI: 10.1021/acs.iecr.4c01171
Teslim Olayiwola, Revati Kumar, Jose A. Romagnoli
Developing data-driven models has found successful applications in engineering tasks, such as material design, process modeling, and process monitoring. In capacitive devices like deionization and supercapacitors, there exists potential for applying this data-driven machine learning (ML) model in optimizing its potential use in energy-efficient separations or energy generation. However, these models are faced with limited datasets, and even in large quantities, the datasets are incomplete, limiting their potential use for successful data-driven modeling. Here, the success of transfer learning in resolving the challenges with limited datasets was exploited. A two-step data-driven ML modeling framework named ImputeNet involving training with ML-imputed datasets and then with clean datasets was explored. Through data imputation and transfer learning, it is possible to develop a data-driven model with acceptable metrics mirroring experimental measurements. By using the model, optimization studies using the genetic algorithm were implemented to analyze the solution under the Pareto optimality. This early insight can be used in the initial stage of experimental measurements to rapidly identify experimental conditions worthy of further investigation. Moreover, we expect that the insights from these results will drive accurate predictive modeling in other fields including healthcare, genomic data analysis, and environmental monitoring with incomplete datasets.
开发数据驱动模型已成功应用于材料设计、流程建模和流程监控等工程任务中。在去离子和超级电容器等电容式设备中，应用这种数据驱动的机器学习（ML）模型来优化其在高能效分离或能源生产中的潜在应用存在潜力。然而，这些模型面临的数据集有限，即使是大量的数据集也不完整，这限制了它们在成功的数据驱动建模中的潜在用途。在这里，我们利用了迁移学习在解决有限数据集挑战方面的成功经验。我们探索了一个名为 ImputeNet 的两步数据驱动 ML 建模框架，其中包括使用 ML 估算的数据集进行训练，然后使用干净的数据集进行训练。通过数据归因和迁移学习，可以开发出一种数据驱动模型，其可接受的指标与实验测量结果一致。通过使用该模型，利用遗传算法实施了优化研究，以分析帕累托最优下的解决方案。这种早期洞察力可用于实验测量的初始阶段，以快速确定值得进一步研究的实验条件。此外，我们还期望这些结果的见解能推动其他领域的精确预测建模，包括医疗保健、基因组数据分析和不完整数据集的环境监测。
{"title":"Empowering Capacitive Devices: Harnessing Transfer Learning for Enhanced Data-Driven Optimization","authors":"Teslim Olayiwola, Revati Kumar, Jose A. Romagnoli","doi":"10.1021/acs.iecr.4c01171","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01171","url":null,"abstract":"Developing data-driven models has found successful applications in engineering tasks, such as material design, process modeling, and process monitoring. In capacitive devices like deionization and supercapacitors, there exists potential for applying this data-driven machine learning (ML) model in optimizing its potential use in energy-efficient separations or energy generation. However, these models are faced with limited datasets, and even in large quantities, the datasets are incomplete, limiting their potential use for successful data-driven modeling. Here, the success of transfer learning in resolving the challenges with limited datasets was exploited. A two-step data-driven ML modeling framework named <i>ImputeNet</i> involving training with ML-imputed datasets and then with clean datasets was explored. Through data imputation and transfer learning, it is possible to develop a data-driven model with acceptable metrics mirroring experimental measurements. By using the model, optimization studies using the genetic algorithm were implemented to analyze the solution under the Pareto optimality. This early insight can be used in the initial stage of experimental measurements to rapidly identify experimental conditions worthy of further investigation. Moreover, we expect that the insights from these results will drive accurate predictive modeling in other fields including healthcare, genomic data analysis, and environmental monitoring with incomplete datasets.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141463590","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 : 2024-06-29DOI: 10.1021/acs.iecr.4c01227
Yawen Wang, Jing Ren, Huijie Liu, Shihua Liu, Nuo Xu, Xianggui Kong, Vishnu D. Rajput, Yong Peng, Yufei Zhao
The extensive utilization of chromium in electroplating, leather tanning, dyeing, and other industries has resulted in significant environmental pollution. Therefore, there is a pressing need for highly efficient materials to tackle the pollution caused by Cr(VI). Throughout the study, a variety of layered double hydroxides (LDHs) were synthesized, and the NiCr-LDH showed remarkable removal properties for the heavy metal chromium. The NiCr-LDH exhibits rapid equilibrium within 60 min and possesses a maximum capacity of 218 mg/g. Notably, when exposed to visible light, the ability of NiCr-LDH to remove toxic Cr(VI) anions is significantly improved, and it is capable of treating actual electroplating wastewater to remove the Cr concentration to well below 0.5 mg/L. In-depth analysis revealed compelling evidence that the highly toxic Cr(VI) anions transformed into harmless Cr(III) anions, resulting in an improved removal efficiency.
{"title":"Superstable Mineralization Coupled with Photocatalysis toward Cr(VI) Remediation Using Layered Double Hydroxide Material","authors":"Yawen Wang, Jing Ren, Huijie Liu, Shihua Liu, Nuo Xu, Xianggui Kong, Vishnu D. Rajput, Yong Peng, Yufei Zhao","doi":"10.1021/acs.iecr.4c01227","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01227","url":null,"abstract":"The extensive utilization of chromium in electroplating, leather tanning, dyeing, and other industries has resulted in significant environmental pollution. Therefore, there is a pressing need for highly efficient materials to tackle the pollution caused by Cr(VI). Throughout the study, a variety of layered double hydroxides (LDHs) were synthesized, and the NiCr-LDH showed remarkable removal properties for the heavy metal chromium. The NiCr-LDH exhibits rapid equilibrium within 60 min and possesses a maximum capacity of 218 mg/g. Notably, when exposed to visible light, the ability of NiCr-LDH to remove toxic Cr(VI) anions is significantly improved, and it is capable of treating actual electroplating wastewater to remove the Cr concentration to well below 0.5 mg/L. In-depth analysis revealed compelling evidence that the highly toxic Cr(VI) anions transformed into harmless Cr(III) anions, resulting in an improved removal efficiency.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141463583","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 : 2024-06-28DOI: 10.1021/acs.iecr.4c01380
Tao Guo, Baorong Wang, Chenlong Xue, Xiaomeng Liu, Chunhua Lin, Xianqing Xie, Yibin Luo, Weilin Liao, Xingtian Shu
The crystalline defects are vitally important for the catalytic activity and stability of zeotype materials; however, the influences of which on the catalytic performance of TS-1 should further be studied. Herein, a modified hydrothermal synthesis process was developed to in situ tailor the framework defects of TS-1, and the physicochemical properties and catalytic performance were studied in detail. Generally, the nH2O/nSiO2 (5–20) of the precursor mixture was in situ tuned via distillation through the crystallization under 90–110 °C, and TS-1 with decreased framework defects can be directly synthesized during the following crystallization under 170 °C. When the nH2O/nSiO2 declined, the crystal size decreased; however, more intracrystalline mesopores (3.0–5.3 nm) can be introduced, the mesopore volume increased from 0.051 to 0.083 cm3/g. More importantly, the ratio of silicon species in Q4 (Si(OSi)4) to Q3 [Si(OSi)3(OH)] units increased from 29.9 to 55.0, and the hydroxyl groups in the nest or neighboring environments decreased more significantly than the surface silanol. Nevertheless, the titanium coordination states remained unchanged. Owing to the decreased framework defects, the weak acid sites declined from 191.5 to 160.5 μmol NH3/g, the epoxide selectivity in butene epoxidation reaction increased from 97.4 to 98.1%, while the H2O2 efficiency was enhanced from 96.7 to 98.6%. More importantly, the catalytic stability of TS-1 was also improved.
{"title":"In Situ Tailoring the Crystalline Defects of Titanium Silicalite-1 (TS-1) to Improve the 1-Butene Epoxidation Performance","authors":"Tao Guo, Baorong Wang, Chenlong Xue, Xiaomeng Liu, Chunhua Lin, Xianqing Xie, Yibin Luo, Weilin Liao, Xingtian Shu","doi":"10.1021/acs.iecr.4c01380","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01380","url":null,"abstract":"The crystalline defects are vitally important for the catalytic activity and stability of zeotype materials; however, the influences of which on the catalytic performance of TS-1 should further be studied. Herein, a modified hydrothermal synthesis process was developed to in situ tailor the framework defects of TS-1, and the physicochemical properties and catalytic performance were studied in detail. Generally, the <i>n</i><sub>H<sub>2</sub>O</sub>/<i>n</i><sub>SiO<sub>2</sub></sub> (5–20) of the precursor mixture was in situ tuned via distillation through the crystallization under 90–110 °C, and TS-1 with decreased framework defects can be directly synthesized during the following crystallization under 170 °C. When the <i>n</i><sub>H<sub>2</sub>O</sub>/<i>n</i><sub>SiO<sub>2</sub></sub> declined, the crystal size decreased; however, more intracrystalline mesopores (3.0–5.3 nm) can be introduced, the mesopore volume increased from 0.051 to 0.083 cm<sup>3</sup>/g. More importantly, the ratio of silicon species in Q4 (Si(OSi)<sub>4</sub>) to Q3 [Si(OSi)<sub>3</sub>(OH)] units increased from 29.9 to 55.0, and the hydroxyl groups in the nest or neighboring environments decreased more significantly than the surface silanol. Nevertheless, the titanium coordination states remained unchanged. Owing to the decreased framework defects, the weak acid sites declined from 191.5 to 160.5 μmol NH<sub>3</sub>/g, the epoxide selectivity in butene epoxidation reaction increased from 97.4 to 98.1%, while the H<sub>2</sub>O<sub>2</sub> efficiency was enhanced from 96.7 to 98.6%. More importantly, the catalytic stability of TS-1 was also improved.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141463652","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 : 2024-06-28DOI: 10.1021/acs.iecr.4c01852
Vladislav Timoshev, Liane A. Haufe, Markus Seifert, Oliver Busse, Yufei Wu, Thomas Wiegand, Jan J. Weigand
The production of well-shaped, spherical, and hydrothermally stable catalyst additives is a complex task in catalytic cracking. Industrial solutions often involve the use of phosphate materials. In this work, we prepared a spherical catalyst grain by spray-drying zeolite (ZSM-5) and kaolin filler with three different aluminum phosphate binders. The phosphate binders were used as pure binders and in combination with colloidal silica. We prepared the aluminum phosphate binders from boehmite and phosphoric acid with three different P/Al ratios. All of these can effectively bind the catalyst components to spherical particles. We demonstrated that various combinations of aluminum phosphate binders with colloidal silica can modify the catalyst’s porosity, acidity, stability, and hydrocarbon cracking properties. Finally, we found that the use of a silica-containing aluminum phosphate binder and a total P/Al ratio below 1 is necessary to avoid pore blockage by phosphates and to reduce the acidity of the catalyst. As a result, the aluminum phosphate binder can improve both the hydrothermal stability of the zeolite and the catalyst grains as well as the yield of light olefins in hexane cracking test reactions.
{"title":"Enhancing Hydrothermal Stability of ZSM-5 Cracking Additives with Aluminum Phosphates","authors":"Vladislav Timoshev, Liane A. Haufe, Markus Seifert, Oliver Busse, Yufei Wu, Thomas Wiegand, Jan J. Weigand","doi":"10.1021/acs.iecr.4c01852","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01852","url":null,"abstract":"The production of well-shaped, spherical, and hydrothermally stable catalyst additives is a complex task in catalytic cracking. Industrial solutions often involve the use of phosphate materials. In this work, we prepared a spherical catalyst grain by spray-drying zeolite (ZSM-5) and kaolin filler with three different aluminum phosphate binders. The phosphate binders were used as pure binders and in combination with colloidal silica. We prepared the aluminum phosphate binders from boehmite and phosphoric acid with three different P/Al ratios. All of these can effectively bind the catalyst components to spherical particles. We demonstrated that various combinations of aluminum phosphate binders with colloidal silica can modify the catalyst’s porosity, acidity, stability, and hydrocarbon cracking properties. Finally, we found that the use of a silica-containing aluminum phosphate binder and a total P/Al ratio below 1 is necessary to avoid pore blockage by phosphates and to reduce the acidity of the catalyst. As a result, the aluminum phosphate binder can improve both the hydrothermal stability of the zeolite and the catalyst grains as well as the yield of light olefins in hexane cracking test reactions.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141463645","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 : 2024-06-28DOI: 10.1021/acs.iecr.4c01539
Min-Jun Jang, Hyeokjun Seo, Dong-Yeun Koh
Due to its distinct pore structure consisting of micropores and ultramicropores, carbon molecular sieve (CMS) is a promising material for creating membranes. However, the pyrolysis of an asymmetric polymer precursor to produce CMS membranes would compromise its inherent porous structure, resulting in a thick selective layer that might lead to a low flux membrane. Instead, thin composite membranes with selective CMS layers coated on porous substrates can provide a short transport length for enhanced permeability. In this work, a polymer precursor was dip-coated onto porous alumina hollow fibers, followed by pyrolysis to yield composite hollow fiber membranes with a very thin (∼2 μm), selective CMS layer. Using the composite membranes, xylene mixtures were separated by organic solvent reverse osmosis mode, and enhanced flux of the composite membrane (up to 10 times) was obtained compared to other CMS membranes. It is expected that organic liquid mixtures can be separated at a lower cost through membranes than through the conventional thermal process.
{"title":"Separation of Liquid Xylene Isomers Using Thin-Film Composite Carbon Molecular Sieve Hollow Fiber Membranes","authors":"Min-Jun Jang, Hyeokjun Seo, Dong-Yeun Koh","doi":"10.1021/acs.iecr.4c01539","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01539","url":null,"abstract":"Due to its distinct pore structure consisting of micropores and ultramicropores, carbon molecular sieve (CMS) is a promising material for creating membranes. However, the pyrolysis of an asymmetric polymer precursor to produce CMS membranes would compromise its inherent porous structure, resulting in a thick selective layer that might lead to a low flux membrane. Instead, thin composite membranes with selective CMS layers coated on porous substrates can provide a short transport length for enhanced permeability. In this work, a polymer precursor was dip-coated onto porous alumina hollow fibers, followed by pyrolysis to yield composite hollow fiber membranes with a very thin (∼2 μm), selective CMS layer. Using the composite membranes, xylene mixtures were separated by organic solvent reverse osmosis mode, and enhanced flux of the composite membrane (up to 10 times) was obtained compared to other CMS membranes. It is expected that organic liquid mixtures can be separated at a lower cost through membranes than through the conventional thermal process.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141463575","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 : 2024-06-28DOI: 10.1021/acs.iecr.4c00591
Lin Meng, Mingjing Chen, Xiaoxia Sun, Zhimin Li, Ning Liu, Xinhou Wang
Polylactide (PLA) has attracted attention for use in the melt blowing process due to its ease of processing and biodegradation. However, the low mechanical property limits the practical application. In this work, in situ fibrillation technology was introduced to improve the mechanical properties of PLA-based melt-blown nonwovens. First, PLA/PBS blends with a sea–island morphology were prepared using a screw extruder. Then, the PBS droplets evolved into in situ fibrils under the action of elongational flow and transverse contraction in the die and airflow field. Benefiting from the in situ fibrous structure, the simultaneous enhancement in strength (2.19 MPa) and strain (12.97%) was achieved in the PLA-based melt-blown nonwovens, obtaining a substantial increase of 164 and 672%, respectively, compared to the pure PLA nonwovens. Moreover, the prepared nonwovens exhibited enhanced thermal properties and good wearing comfort performance. Overall, this study proposes a simple and promising method for preparing biodegradable melt-blown nonwovens with excellent mechanical properties.
{"title":"Tailoring the Microstructure of Biodegradable PLA/PBS Melt-Blown Nonwovens with Enhanced Mechanical Performance by In Situ PBS Fibrils Formation","authors":"Lin Meng, Mingjing Chen, Xiaoxia Sun, Zhimin Li, Ning Liu, Xinhou Wang","doi":"10.1021/acs.iecr.4c00591","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c00591","url":null,"abstract":"Polylactide (PLA) has attracted attention for use in the melt blowing process due to its ease of processing and biodegradation. However, the low mechanical property limits the practical application. In this work, in situ fibrillation technology was introduced to improve the mechanical properties of PLA-based melt-blown nonwovens. First, PLA/PBS blends with a sea–island morphology were prepared using a screw extruder. Then, the PBS droplets evolved into in situ fibrils under the action of elongational flow and transverse contraction in the die and airflow field. Benefiting from the in situ fibrous structure, the simultaneous enhancement in strength (2.19 MPa) and strain (12.97%) was achieved in the PLA-based melt-blown nonwovens, obtaining a substantial increase of 164 and 672%, respectively, compared to the pure PLA nonwovens. Moreover, the prepared nonwovens exhibited enhanced thermal properties and good wearing comfort performance. Overall, this study proposes a simple and promising method for preparing biodegradable melt-blown nonwovens with excellent mechanical properties.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141463643","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 : 2024-06-28DOI: 10.1021/acs.iecr.4c01518
Esteban Cea-Klapp, Bastián González-Barramuño, Nicolás F. Gajardo-Parra, Alejandro Karelovic, Héctor Quinteros-Lama, Roberto I. Canales, José Matías Garrido
The catalytic hydrogenation of carbon dioxide has become a novel technology of economic and environmental interest that allows the production of value-added products as energy alternatives to the current demand. As product distributions are highly dependent on process conditions such as reaction temperature, pressure, and H2/CO2 ratio, it is necessary to have reliable thermodynamic models that can characterize mixtures of reactants with products over a wide range of conditions. In this contribution, the accuracy of two hydrogen models applied through equations of state (EOS) framed within variations of the statistical associating fluid theory (SAFT) is compared. These models include perturbed-chain SAFT (PC-SAFT) EOS and SAFT of variable range and Mie potential (SAFT-VR Mie) EOS. This is accomplished by the depiction of the thermodynamic behavior of mixtures of hydrogen in the context of the hydrogenation of carbon dioxide, estimating the thermodynamic behavior of the relevant mixtures. In all of the cases, zero values for the binary adjustable parameters have been implemented, and both models of hydrogen were fitted from a hydrogen+decane mixture. Available experimental data of high-pressure phase equilibria, critical loci, and interfacial tensions is used to determine the accuracy of the hydrogen models by contrasting their respective predictive capabilities, determining that the overall performance of the one applied in the SAFT-VR Mie EOS is inferior compared to the PC-SAFT one. The average absolute deviations between model calculations and experimental data for vapor–liquid equilibrium are 35.8 % (pressure), 3.10 % (liquid composition), and 2.60 % (vapor composition) for PC-SAFT, and 26.3, 3.27, and 2.65% for SAFT-VR Mie, respectively.
{"title":"Assessing Thermodynamics Models for Phase Equilibria and Interfacial Properties Relevant to the Hydrogenation of Carbon Dioxide","authors":"Esteban Cea-Klapp, Bastián González-Barramuño, Nicolás F. Gajardo-Parra, Alejandro Karelovic, Héctor Quinteros-Lama, Roberto I. Canales, José Matías Garrido","doi":"10.1021/acs.iecr.4c01518","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01518","url":null,"abstract":"The catalytic hydrogenation of carbon dioxide has become a novel technology of economic and environmental interest that allows the production of value-added products as energy alternatives to the current demand. As product distributions are highly dependent on process conditions such as reaction temperature, pressure, and H<sub>2</sub>/CO<sub>2</sub> ratio, it is necessary to have reliable thermodynamic models that can characterize mixtures of reactants with products over a wide range of conditions. In this contribution, the accuracy of two hydrogen models applied through equations of state (EOS) framed within variations of the statistical associating fluid theory (SAFT) is compared. These models include perturbed-chain SAFT (PC-SAFT) EOS and SAFT of variable range and Mie potential (SAFT-VR Mie) EOS. This is accomplished by the depiction of the thermodynamic behavior of mixtures of hydrogen in the context of the hydrogenation of carbon dioxide, estimating the thermodynamic behavior of the relevant mixtures. In all of the cases, zero values for the binary adjustable parameters have been implemented, and both models of hydrogen were fitted from a hydrogen+decane mixture. Available experimental data of high-pressure phase equilibria, critical loci, and interfacial tensions is used to determine the accuracy of the hydrogen models by contrasting their respective predictive capabilities, determining that the overall performance of the one applied in the SAFT-VR Mie EOS is inferior compared to the PC-SAFT one. The average absolute deviations between model calculations and experimental data for vapor–liquid equilibrium are 35.8 % (pressure), 3.10 % (liquid composition), and 2.60 % (vapor composition) for PC-SAFT, and 26.3, 3.27, and 2.65% for SAFT-VR Mie, respectively.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141463721","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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