Journal of Industrial and Engineering Chemistry最新文献

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Sb-doped SnS2 nanosheets enhance electrochemical reduction of carbon dioxide to formate 硒掺杂SnS2纳米片增强了二氧化碳的电化学还原成甲酸酯
IF 6.1 3区 工程技术
Journal of Industrial and Engineering Chemistry Pub Date : 2023-07-25 DOI: 10.1016/j.jiec.2023.03.014
Luntong Yan , Zelin Wu , Congming Li , Junying Wang
{"title":"Sb-doped SnS2 nanosheets enhance electrochemical reduction of carbon dioxide to formate","authors":"Luntong Yan ,&nbsp;Zelin Wu ,&nbsp;Congming Li ,&nbsp;Junying Wang","doi":"10.1016/j.jiec.2023.03.014","DOIUrl":"https://doi.org/10.1016/j.jiec.2023.03.014","url":null,"abstract":"<div><p><span>Electrocatalytic carbon dioxide (CO</span><sub>2</sub>) is a forward-looking strategy to convert renewable energy into fuel. Herein, we show that the novel Sb-doped SnS<sub>2</sub><span> nanosheets were synthesized by a simple hydrothermal method for efficient electroreduction of CO</span><sub>2</sub>, and the atomic ratio of Sb/Sn was controllable. The introduction of Sb significantly enhanced the current density and Faradaic efficiency for formate products compared to pristine SnS<sub>2</sub> nanosheets. When the Sb content was 1%, the Sb-SnS<sub>2</sub> nanosheets achieved a remarkable Faradaic efficiency of 90.86% for formate products at −1.1 V vs. RHE. The experimental results showed that 1% Sb-doped SnS<sub>2</sub> nanosheets changed the electronic structure of the Sn element, allowing the catalyst to reconfigure to generate Sn<sup>0</sup> during the electrochemical reaction, while the singlet tin had a synergistic effect with Sn<sup>4+</sup>, making it easier to transport electrons on the surface and promoting the activation process of CO<sub>2</sub>, which is a key factor to improve the electroreduction performance of CO<sub>2</sub>.</p></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"123 ","pages":"Pages 33-40"},"PeriodicalIF":6.1,"publicationDate":"2023-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"1824595","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: 2
Selective extraction of thorium to directly form self-assembly solid from HNO3 solution 从HNO3溶液中选择性萃取钍,直接形成自组装固体
IF 6.1 3区 工程技术
Journal of Industrial and Engineering Chemistry Pub Date : 2023-07-25 DOI: 10.1016/j.jiec.2023.03.044
Fang Zhang , Qiang Wu , Lei-Tao Sha , Yang Li , Xu-Xin Li , Ze-Yang Wang , Xuan Fu , Qing-Gang Huang , Bin Liu , Ze-Yi Yan
{"title":"Selective extraction of thorium to directly form self-assembly solid from HNO3 solution","authors":"Fang Zhang ,&nbsp;Qiang Wu ,&nbsp;Lei-Tao Sha ,&nbsp;Yang Li ,&nbsp;Xu-Xin Li ,&nbsp;Ze-Yang Wang ,&nbsp;Xuan Fu ,&nbsp;Qing-Gang Huang ,&nbsp;Bin Liu ,&nbsp;Ze-Yi Yan","doi":"10.1016/j.jiec.2023.03.044","DOIUrl":"https://doi.org/10.1016/j.jiec.2023.03.044","url":null,"abstract":"<div><p>Based on ions exchange between [DMDSA]<sup>+</sup>[Cl]<sup>-</sup> (Dimethyl distearyl ammonium chloride) and <em>N</em>,<em>N</em>-dialkyl-succinamide acid (SCA), three novel bifunctional [DMDSA]<sup>+</sup>[SCA]<sup>-</sup> ionic liquids (ILs) were firstly synthesized for extraction of thorium (IV) by self-assembly strategy. The simultaneous extraction and solidification of Th(IV) were unexpectedly realized in one-step operation using the present ILs in HNO<sub>3</sub> solution, and more than 99% thorium (IV) was enriched and immediately aggregated into self-assembly solid at the biphasic interface. The self-assembly solid was further identified by FT-IR, SEM with element mapping EDS and XPS analysis, and revealing that the self-assembly extraction (SAE) was triggered by the amphiphilic [DMDSA]<sup>+</sup> cations. A three-step extraction mechanism dominated by [SCA·Th(NO<sub>3</sub>)<sub>4</sub>]<sup>-</sup><span> was proposed based on the slope analysis method and HRMS analysis. The self-assembly extraction of Th(IV) exhibited the extremely excellent selectivity in the presence of U(VI) and typical lanthanide elements including La(III), Eu(III) and Lu(III), and the separation factors reached 2516 for Th/U, 1885 for Th/La, 1512 for Th/Eu and 558 for Th/Lu, respectively. The proposed SAE strategy was proved to be an efficient method for one-step separation and solidification of thorium ions from U(VI) and/or lanthanides.</span></p></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"123 ","pages":"Pages 278-286"},"PeriodicalIF":6.1,"publicationDate":"2023-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"1824598","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: 1
A novel UiO-66-NH2/graphene oxide composite thin membrane for retarding membrane wetting in membrane distillation 一种新型UiO-66-NH2/氧化石墨烯复合薄膜用于膜蒸馏中膜的缓湿
IF 6.1 3区 工程技术
Journal of Industrial and Engineering Chemistry Pub Date : 2023-07-25 DOI: 10.1016/j.jiec.2023.03.022
Fangqing Li , Lin Chen , Yufei Wei , Zhiwei Yin , Keying Que
{"title":"A novel UiO-66-NH2/graphene oxide composite thin membrane for retarding membrane wetting in membrane distillation","authors":"Fangqing Li ,&nbsp;Lin Chen ,&nbsp;Yufei Wei ,&nbsp;Zhiwei Yin ,&nbsp;Keying Que","doi":"10.1016/j.jiec.2023.03.022","DOIUrl":"https://doi.org/10.1016/j.jiec.2023.03.022","url":null,"abstract":"<div><p>Membrane distillation (MD) is considered an emerging desalination technology. However, the presence of surfactants allows liquid to penetrate the membrane, resulting in membrane wetting, which hinders the commercialization of MD. In this study, we use very few modified materials to prepare novel Janus thin membranes that immobilize modified materials (graphene oxide (GO) and UiO-66-NH<sub>2</sub>) on polytetrafluoroethylene (PTFE) hydrophobic base membranes via crosslinkers. The composite thin membrane properties with eight different ratios and contents of GO and UiO-66-NH<sub>2</sub> were fabricated and tested by a feed solution of sodium chloride containing a high concentration of sodium dodecyl sulfate. An optimal ratio of Janus membrane with high flux without affecting the effluent water quality was obtained. The Janus membrane exhibited excellent anti-wetting properties compared to the original PTFE membrane. A desalination rate of up to 99.9% was still available even under 48 h of long-term operating conditions by maintaining a flux of approximately 21.2 L/(m<sup>2</sup>·h). The anti-wetting mechanism of this membrane was further confirmed by the modified XDLVO model. It suggested that the novel Janus membrane could be a highly promising substitute to the MD process for the resource-based treatment of surfactant-containing wastewater, which played an important role in promoting its application.</p></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"123 ","pages":"Pages 62-71"},"PeriodicalIF":6.1,"publicationDate":"2023-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"1515395","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: 2
Two-dimensional bimetallic cobalt-copper metal organic framework for improved desalination performance of capacitive deionization 二维双金属钴铜金属有机骨架用于提高海水淡化性能的电容去离子
IF 6.1 3区 工程技术
Journal of Industrial and Engineering Chemistry Pub Date : 2023-07-25 DOI: 10.1016/j.jiec.2023.03.028
Eunho Song , Nguyen Anh Thu Tran , Yeo Woon Kang , Hyeona Yu , Chung-Yul Yoo , Jung Tae Park , Younghyun Cho
{"title":"Two-dimensional bimetallic cobalt-copper metal organic framework for improved desalination performance of capacitive deionization","authors":"Eunho Song ,&nbsp;Nguyen Anh Thu Tran ,&nbsp;Yeo Woon Kang ,&nbsp;Hyeona Yu ,&nbsp;Chung-Yul Yoo ,&nbsp;Jung Tae Park ,&nbsp;Younghyun Cho","doi":"10.1016/j.jiec.2023.03.028","DOIUrl":"https://doi.org/10.1016/j.jiec.2023.03.028","url":null,"abstract":"<div><p>Capacitive deionization (CDI) technology has recently attracted much attention due to its distinct advantages, which include energy efficiency, eco-friendly method, and simple process. Capacitive materials, such as activated carbon, carbon fiber, and carbon aerogel, have mostly been used. However, the conventional carbon-based materials still suffer limitations, such as low electrosorption capacity, slow desalination rate, and insufficient desalination capacity for high saline concentration. Herein, the 2 Dimensional-Cobalt-Copper sulfur linker-based MOF material was prepared by a solvothermal method to develop the performance of electrode material, namely 2D-CoCu <em>s</em>MOF. We applied the synthesized material with porous carbon material (AC) as an electrode material in the CDI desalination system. Owing to the fast and efficient electron transfer in the electrode layer and the lower interfacial resistance between electrode surface and saline electrolyte originating from the redox reactions of MOF structure, 2D − CoCu <em>s</em>MOF exhibited a much higher desalination performance, compared to the pristine AC. CDI experimental results showed that the salt adsorption capacity (SAC) of electrode using 2D − CoCu <em>s</em>MOF was significantly improved from 4.18 to 7.55 mg/g without any changes in the long-term stability test, which was over an 80% increase in desalination performance. This approach provides an effective and simple method for the preparation of MOF-based CDI electrode material, which could have potential for high-performance green technology including desalination applications.</p></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"123 ","pages":"Pages 116-124"},"PeriodicalIF":6.1,"publicationDate":"2023-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"1824597","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: 1
Fe-doped Co3O4 nanostructures prepared via hard-template method and used for the oxygen evolution reaction in alkaline media 硬模板法制备铁掺杂Co3O4纳米结构,并用于碱性介质的析氧反应
IF 6.1 3区 工程技术
Journal of Industrial and Engineering Chemistry Pub Date : 2023-07-25 DOI: 10.1016/j.jiec.2023.03.062
Min-Ha Kim, Deok-Hye Park, Jeong-Hyeon Byeon, Da-Mi Lim, Yun-Hui Gu, Seon-Ha Park, Kyung-Won Park
{"title":"Fe-doped Co3O4 nanostructures prepared via hard-template method and used for the oxygen evolution reaction in alkaline media","authors":"Min-Ha Kim,&nbsp;Deok-Hye Park,&nbsp;Jeong-Hyeon Byeon,&nbsp;Da-Mi Lim,&nbsp;Yun-Hui Gu,&nbsp;Seon-Ha Park,&nbsp;Kyung-Won Park","doi":"10.1016/j.jiec.2023.03.062","DOIUrl":"https://doi.org/10.1016/j.jiec.2023.03.062","url":null,"abstract":"<div><p>Low-cost and highly efficient anode catalysts are required for the oxygen evolution reaction (OER), which is integral to the commercialization of alkaline-based water electrolysis. Herein, pore size-controlled Fe-doped Co<sub>3</sub>O<sub>4</sub> nanostructures are prepared as non-precious metal anode catalysts using a hard-template method with silica beads of different sizes, ranging from 20 to 1000 nm in diameter. The pore size distribution and specific surface area of the catalysts are measured by nitrogen adsorption/desorption analysis and mercury intrusion porosimetry. The electrochemical properties and OER performances of the catalysts are evaluated in half and unit cells, respectively. Among the catalysts studied, FCO-T-500 synthesized using 500 nm-sized silica beads exhibits the best OER activity and stability, given by a high current density of 847 mA cm<sup>−2</sup> at 1.8 V and superior 100 h-stability during single cell test of anion exchange membrane water electrolysis. The improved OER performance of FCO-T-500 can be attributed to the optimal pore size favorable for gas diffusion and mass transport, sufficient surface OH and H<sub>2</sub>O groups produced via KOH leaching, the largest number of electrocatalytic active sites, and the fastest charge-transfer reaction.</p></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"123 ","pages":"Pages 436-446"},"PeriodicalIF":6.1,"publicationDate":"2023-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3202407","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: 1
Forecasting soybean oil extraction using cyclopentyl methyl ether through soft computing models with a density functional theory study 采用密度泛函理论研究了环戊基甲基醚萃取豆油的软计算模型
IF 6.1 3区 工程技术
Journal of Industrial and Engineering Chemistry Pub Date : 2023-07-25 DOI: 10.1016/j.jiec.2023.03.046
Henrique Gasparetto, Ana Carolina Ferreira Piazzi Fuhr, Nina Paula Gonçalves Salau
{"title":"Forecasting soybean oil extraction using cyclopentyl methyl ether through soft computing models with a density functional theory study","authors":"Henrique Gasparetto,&nbsp;Ana Carolina Ferreira Piazzi Fuhr,&nbsp;Nina Paula Gonçalves Salau","doi":"10.1016/j.jiec.2023.03.046","DOIUrl":"https://doi.org/10.1016/j.jiec.2023.03.046","url":null,"abstract":"<div><p>This work presents a thermo-statistical assessment using soft computing models to describe green soybean oil extraction by cyclopentyl methyl ether (CPME). Experimental data were collected based on an experimental factorial design and modeled by an Artificial Neural Network (ANN) and Adaptive Neuro-Fuzzy Inference System (ANFIS), as the empirical model was unable to accurately predict the experimental results. The ANFIS structure is related to the best statistical metrics, while the ANN achieves the best thermodynamic fit. The results suggest higher yields for higher temperatures and lower solvent-to-solid mass ratios. The extraction temperature can be significantly reduced with CPME to achieve the same yield as <em>n</em>-hexane. The second-order model was the most accurate (<span><math><mrow><mi>SAE</mi></mrow></math></span> = 0.1266, <span><math><mrow><mi>MSE</mi></mrow></math></span> = 5.54·10<sup>-5</sup> and <span><math><msup><mrow><mi>R</mi></mrow><mn>2</mn></msup></math></span> = 0.9876) in representing the extraction kinetics, resulting in an extraction rate constant of 1.9782 min<sup>−1</sup>. It was noticed that small positive induced charges given by the oxygen atom of CPME could contribute to the potential of this solvent to deplete the oil matrix and that its entropy is similar to that of the n-hexane molecule. The extracted oil presented the typical constitution regarding fatty acids composition; free fatty acid, mono, di, and triacylglycerol contents; and infrared spectrum.</p></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"123 ","pages":"Pages 297-310"},"PeriodicalIF":6.1,"publicationDate":"2023-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3449788","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: 5
Controlling photocatalytic properties of Eosin Y-sensitized hydrogen evolution reaction of Cu2−xSe nanoparticles through surface band bending 通过表面带弯曲控制伊红y敏化Cu2−xSe纳米粒子析氢反应的光催化性能
IF 6.1 3区 工程技术
Journal of Industrial and Engineering Chemistry Pub Date : 2023-07-25 DOI: 10.1016/j.jiec.2023.03.025
Hyeonji Lim , Ilpyo Roh , Jiyong Chung , Jaeyoung Lee , Ji Woo Song , Taekyung Yu
{"title":"Controlling photocatalytic properties of Eosin Y-sensitized hydrogen evolution reaction of Cu2−xSe nanoparticles through surface band bending","authors":"Hyeonji Lim ,&nbsp;Ilpyo Roh ,&nbsp;Jiyong Chung ,&nbsp;Jaeyoung Lee ,&nbsp;Ji Woo Song ,&nbsp;Taekyung Yu","doi":"10.1016/j.jiec.2023.03.025","DOIUrl":"https://doi.org/10.1016/j.jiec.2023.03.025","url":null,"abstract":"<div><p>Solar-driven water splitting for hydrogen (H<sub>2</sub>) production and energy conversion technologies have inspired impressive attention due to energy and environmental crises, but still challenges limit commercialization. To overcome these challenges, the visible-light-responsible noble-metal-free photocatalytic H<sub>2</sub> production system is imperative. In this study, scalable synthesis of copper selenides which is one of promising semiconductor materials is developed and the Cu/Se compositions of the Cu<sub>2−x</sub>Se were readily controlled from copper (II) selenide (CuSe) to copper (I) selenide (Cu<sub>2</sub>Se). In addition, the synthesized copper selenides were applied to Eosin Y (EY)-sensitized photocatalytic H<sub>2</sub> production, and Cu<sub>2</sub>Se exhibited the highest photocatalytic H<sub>2</sub> production rate (1017.82 μmol∙g<sup>−1</sup>∙h<sup>−1</sup>) which was 21.17% higher than that of the commercial P25 (TiO<sub>2</sub>) under the same conditions. Through careful characterization and calculation, we investigated the band structures of the synthesized copper selenides with different Cu/Se molar ratio, and were able to propose the theory of enhanced surface H<sub>2</sub>-evolution kinetics based on downward band bending at equilibrium state in the EY-sensitized system.</p></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"123 ","pages":"Pages 81-87"},"PeriodicalIF":6.1,"publicationDate":"2023-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"1633554","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: 2
Improved prediction of the thermodynamic properties of JP-10 using an extended Redlich-Kwong-Peng-Robinson equation of state 利用扩展的redlich - kwong - robinson状态方程改进了JP-10的热力学性质预测
IF 6.1 3区 工程技术
Journal of Industrial and Engineering Chemistry Pub Date : 2023-07-25 DOI: 10.1016/j.jiec.2023.03.026
Jiwan Seo , Jae Seung Kim , Kyu Hong Kim
{"title":"Improved prediction of the thermodynamic properties of JP-10 using an extended Redlich-Kwong-Peng-Robinson equation of state","authors":"Jiwan Seo ,&nbsp;Jae Seung Kim ,&nbsp;Kyu Hong Kim","doi":"10.1016/j.jiec.2023.03.026","DOIUrl":"https://doi.org/10.1016/j.jiec.2023.03.026","url":null,"abstract":"<div><p>JP-10 is an important fuel in the petroleum and aviation industries because it has the highest specific impulse among kerosene-type jet fuels. Thus, a high predictive performance for the thermodynamic properties of JP-10 is necessary for high-fidelity computational analysis. To accurately and efficiently predict the thermodynamic properties of JP-10, the extended Redlich-Kwong-Peng-Robinson (eRK-PR) equation of state (EoS) is developed. A new <span><math><mrow><mi>δ</mi></mrow></math></span> parameter constraint condition and correlation between the experimental critical compressibility factor (<span><math><mrow><msubsup><mrow><mi>Z</mi></mrow><mrow><mi>c</mi></mrow><mrow><mi>exp</mi></mrow></msubsup></mrow></math></span>) and the critical compressibility factor of the EoS (<span><math><mrow><msubsup><mrow><mi>Z</mi></mrow><mrow><mi>c</mi></mrow><mrow><mi>EoS</mi></mrow></msubsup></mrow></math></span>) are proposed to extend the range of the available <span><math><mrow><msubsup><mrow><mi>Z</mi></mrow><mrow><mi>c</mi></mrow><mrow><mi>exp</mi></mrow></msubsup></mrow></math></span> in the Redlich-Kwong-Peng-Robinson EoS. Subsequently, the predictive performance of the eRK-PR EoS is evaluated on eight test compounds and JP-10. The predicted thermodynamic properties of nine pure compounds are compared with those obtained using a variety of EoSs and the National Institute of Standards and Technology data. The results confirm that the eRK-PR EoS predicts the thermodynamic properties of JP-10 more accurately than the other EoSs.</p></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"123 ","pages":"Pages 88-103"},"PeriodicalIF":6.1,"publicationDate":"2023-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"1748663","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: 3
Influence mechanism of nano-SiO2 on water molecular diffusion at liquid-solid interface of natural ester and cellulose 纳米sio2对天然酯和纤维素液固界面水分子扩散的影响机理
IF 6.1 3区 工程技术
Journal of Industrial and Engineering Chemistry Pub Date : 2023-07-25 DOI: 10.1016/j.jiec.2023.03.038
Jianhua Chen , Zhenglin Zeng , Dong Huang , Chao Tang
{"title":"Influence mechanism of nano-SiO2 on water molecular diffusion at liquid-solid interface of natural ester and cellulose","authors":"Jianhua Chen ,&nbsp;Zhenglin Zeng ,&nbsp;Dong Huang ,&nbsp;Chao Tang","doi":"10.1016/j.jiec.2023.03.038","DOIUrl":"https://doi.org/10.1016/j.jiec.2023.03.038","url":null,"abstract":"<div><p><span>It is necessary to study the micro mechanism of water diffusion behavior at the liquid-solid interface between natural esters and cellulose by adding nanoparticles to natural esters, the unmodified and nano-SiO</span><sub>2</sub> modified natural ester-cellulose mixing models were established by molecular simulation technology. The effects of nanoparticles on the moisture at the liquid-solid interface in the natural ester-cellulose insulation system were analyzed from the perspectives of relative concentration distribution, density field, interaction energy and hydrogen bonding. The simulation results show that water molecules in natural ester tend to diffuse from natural ester to cellulose in all models, the binding effect of water molecules on cellulose in the nano-modified model is weakened, and the water peak in cellulose is reduced by 57% compared with the unmodified model, so that the moisture impurities in the nano-modified model cellulose are absorbed to the natural ester-cellulose interface, reducing the damage of moisture to the cellulose, which helps to improve the resistance of the natural ester-cellulose insulation combination aging ability.</p></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"123 ","pages":"Pages 230-237"},"PeriodicalIF":6.1,"publicationDate":"2023-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3138454","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
Bio-based and self-catalyzed waterborne polyurethanes as efficient corrosion inhibitors for sour oilfield environment 生物基和自催化水性聚氨酯在酸性油田环境中的高效缓蚀剂
IF 6.1 3区 工程技术
Journal of Industrial and Engineering Chemistry Pub Date : 2023-07-25 DOI: 10.1016/j.jiec.2023.03.033
Alireza Rahimi , Abdolreza Farhadian , Lei Guo , Esmaeil Akbarinezhad , Ruhollah Sharifi , Danial Iravani , Ali Asghar Javidparvar , Mohamed A. Deyab , Mikhail A. Varfolomeev
{"title":"Bio-based and self-catalyzed waterborne polyurethanes as efficient corrosion inhibitors for sour oilfield environment","authors":"Alireza Rahimi ,&nbsp;Abdolreza Farhadian ,&nbsp;Lei Guo ,&nbsp;Esmaeil Akbarinezhad ,&nbsp;Ruhollah Sharifi ,&nbsp;Danial Iravani ,&nbsp;Ali Asghar Javidparvar ,&nbsp;Mohamed A. Deyab ,&nbsp;Mikhail A. Varfolomeev","doi":"10.1016/j.jiec.2023.03.033","DOIUrl":"https://doi.org/10.1016/j.jiec.2023.03.033","url":null,"abstract":"<div><p>Sunflower oil was used as environmentally friendly source to develop novel self-catalyzed waterborne polyurethanes (WPUs) as efficient corrosion inhibitors for sour oilfield solution. A comprehensive experimental and computational analysis was performed to evaluate the inhibition effect of WPUs. The results of electrochemical measurements indicated that 200 µM of WPUs were effectively protected mild steel from sour corrosion by 95% and 94.6% at 25 °C and 60 °C, respectively. Furthermore, it was found that the best inhibition efficiency was provided by WPU when pyrrolidine was included in its structure, particularly at 60 °C. Additionally, a smoother steel surface was observed in the presence of WPUs, indicating the adsorption of the polyurethane molecules on the metal surface. The results of X-ray photoelectron spectroscopy further confirmed the chemical adsorption of WPUs on the surface of mild steel. Moreover, scanning Kelvin probe microscopy revealed that the potential distribution of the steel surface was shifted to the negative values, which show the adsorption of the inhibitor on the surface and inhibition of the corrosion process. Besides, high values of adsorption energy were achieved for WPUs using molecular dynamic simulation, indicating their spontaneous adsorption to the Fe (110) surface. The maximum adsorption energy of −794.9 kcal/mol was obtained for WPU3, which is consistent with experimental data. These results show that sunflower oil can be considered a potential source to develop self-catalyzed polyurethanes under mild conditions as effective corrosion inhibitors for sour environment.</p></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"123 ","pages":"Pages 170-186"},"PeriodicalIF":6.1,"publicationDate":"2023-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"2702744","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: 2
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