{"title":"Adsorption behavior and inhibition performance of octadecyl dimethyl benzyl ammonium chloride on steel surface in phosphoric acid medium: Experimental and theoretical investigations","authors":"Yu Peng , Shuli Li , Shuduan Deng , Xianghong Li","doi":"10.1016/j.cjche.2025.03.016","DOIUrl":"10.1016/j.cjche.2025.03.016","url":null,"abstract":"<div><div>A biodegradable and green organic compound octadecyl dimethyl benzyl amm-onium chloride (ODBAC) was used as an efficient inhibitor for cold rolled steel (CRS) in phosphoric acid (H<sub>3</sub>PO<sub>4</sub>). The mechanism of adsorption and film formation of ODBAC on CRS was studied through experimental and theoretical calculations. The weight loss method shows that the inhibition efficiency of ODBAC can reach 92.01% at a concentration of 10 mg·L<sup>−1</sup>. The adsorption of ODBAC on the CRS surface conforms to the Langmuir isotherm model, which is a mixed adsorption mainly based on physical adsorption. The X-ray photoelectron spectroscopy (XPS) and contact angle results confirmed the existence of the ODBAC film and steel surface's hydrophobicity has been significantly enhanced. Electrochemical test results reveal that the film's formation mainly inhibits the cathodic corrosion reaction and effectively increases the charge transfer resistance. Quantum chemical calculations have found that N18 in ODBAC and C24 and C25 on the benzene ring are the key active adsorption sites. Molecular dynamics simulation results indicate that ODBAC can sharply reduce the free fraction volume to 8% and inhibit the diffusion of corrosion particles, meaning that the formed ODBAC film makes it difficult for corrosion particles to penetrate, thus improving the corrosion resistance of CRS in H<sub>3</sub>PO<sub>4</sub>.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"83 ","pages":"Pages 72-87"},"PeriodicalIF":3.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144588581","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}
Han Peng , Xinliang Jia , Xiaofang Guo , Yubo Jiang , Zhipeng Li , Zhengming Gao , J.J. Derksen
{"title":"Removal of deposited metal particles on a horizontal surface by vertical submerged impinging jets","authors":"Han Peng , Xinliang Jia , Xiaofang Guo , Yubo Jiang , Zhipeng Li , Zhengming Gao , J.J. Derksen","doi":"10.1016/j.cjche.2025.02.017","DOIUrl":"10.1016/j.cjche.2025.02.017","url":null,"abstract":"<div><div>Jet agitation is known as a maintenance-free stirring technique for nuclear wastewater treatment and demonstrates great potential in transport of radioactive particles. Removal processes of horizontal sediment beds driven by impinging jets were experimentally investigated using image capture and processing technique. The beds were composed of heavy fine particles with particle density ranging from 3700 to 12600 kg·m<sup>−</sup><sup>3</sup> and particle diameter from 5 to 100 μm. The jet Reynolds number varied between 4300 and 9600. The single-phase large eddy simulation method was used for calculating both jet flow characteristics and wall shear stresses. The effects of jet strength, particle density, particle diameter, and bed thickness on bed mobility in terms of the critical Shields numbers were considered. Specifically, the critical Shields number was found to be intricately related to properties of particles, and independent of jet intensity. A new Shields number curve for stainless-steel particles was found, and a model was proposed to predict the transport rate of thin beds, with <em>R</em><sup>2</sup> = 0.96.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"83 ","pages":"Pages 137-147"},"PeriodicalIF":3.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144596792","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}
Daiwen Li , Shoutian Qiu , Gan Liu , Ming Liu , Mingjie Wei , Shipeng Sun , Weihong Xing , Xiaohua Lu , Yong Wang
{"title":"Coarse-grained molecular dynamics simulations on self-assembly of polystyrene-block-poly(2-Vinylpyridine)","authors":"Daiwen Li , Shoutian Qiu , Gan Liu , Ming Liu , Mingjie Wei , Shipeng Sun , Weihong Xing , Xiaohua Lu , Yong Wang","doi":"10.1016/j.cjche.2025.02.032","DOIUrl":"10.1016/j.cjche.2025.02.032","url":null,"abstract":"<div><div>Self-assembly of block copolymers (BCPs) is highly intricate and is adsorbing extensive experimental and simulation efforts to reveal it for maximizing structural order and device performances. The coarse-grained (CG) molecular dynamics (MD) simulation offers a microscopic angle to view the self-assembly of BCPs. Although some molecular details are sacrificed during CG processes, this method exhibits remarkable computational efficiency. In this study, a comprehensive CG model for polystyrene-<em>block</em>-poly(2-vinylpyridine), PS-<em>b</em>-P2VP, one of the most extensively studied BCPs for its high Flory-Huggins interaction parameter, is constructed, with parameters optimized using target values derived from all-atom MD simulations. The CG model precisely coincides with various classical self-assembling morphologies observed in experimental studies, matching the theoretical phase diagrams. Moreover, the conformational asymmetry of the experimental phase diagram is also clearly revealed by our simulation results, and the phase boundaries obtained from simulations are highly consistent with experimental results. The CG model is expected to extend to simulate the self-assembly behaviors of other BCPs in addition to PS-<em>b</em>-P2VP, thus increasing understanding of the microphase separation of BCPs from the molecular level.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"83 ","pages":"Pages 15-25"},"PeriodicalIF":3.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144548965","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}
Qinwen Liu , Yiwei Zhang , Hengbing Ye , Guanwen Zhou , Yu Su , Wenli Dong , Chi-Hwa Wang , Wenqi Zhong
{"title":"Combustion behavior and pollutant emissions of the pressurized fluidized bed oxy-fuel co-firing of coal and poultry manure","authors":"Qinwen Liu , Yiwei Zhang , Hengbing Ye , Guanwen Zhou , Yu Su , Wenli Dong , Chi-Hwa Wang , Wenqi Zhong","doi":"10.1016/j.cjche.2025.05.006","DOIUrl":"10.1016/j.cjche.2025.05.006","url":null,"abstract":"<div><div>Pressurized oxy-fuel combustion is a next-generation and low-cost carbon capture technology with industrial application potential. This work presents an innovative research exploration—coupling coal pressurized fluidized bed oxy-fuel combustion technology with energy utilization of poultry manure as a renewable and carbon-neutral fuel, in order to capture CO<sub>2</sub> and solve the problem of poultry manure treatment simultaneously. In this study, a stable co-combustion of coal and chicken manure in a laboratory-scale pressurized fluidized bed under typical oxy-fuel condition (30%O<sub>2</sub>/70%CO<sub>2</sub>, <em>i.e.</em>, Oxy-30) is achieved. The key parameters including the combustion pressure (0.1–0.5 MPa) and chicken-manure proportion (0% to 100%) and their impacts on fundamental combustion efficiency, carbon conversion, nitrogen and sulfur pollutant emissions, and residue ash characteristics have been investigated. The result show that pressurization favors an increase in the CO<sub>2</sub> enrichment concentration and fluidized bed combustion efficiency. During co-combustion under 0.1 and 0.3 MPa, the CO<sub>2</sub> concentration in the flue gas is the highest when the chicken manure blending ratio (<em>M</em><sub>pm</sub>) is 25%. Although the NO emissions fluctuate and even increase as <em>M</em><sub>pm</sub> increases, the co-combustion of coal and chicken manure exhibits a synergistic effect in reducing NO conversion rate (<em>X</em><sub>NO</sub>). The effect of pressurization on reducing NO emission is significant, <em>X</em><sub>NO</sub> at <em>M</em><sub>pm</sub> = 25% decreasing from 15% to 5% as the pressure (<em>P</em>) increases from 0.1 to 0.5 MPa. As <em>P</em> increases from 0.1 to 0.5 MPa and <em>M</em><sub>pm</sub> increases from 0% to 50%, the SO<sub>2</sub> emissions and conversion rates decrease. The self-desulfurization process plays an important role in the reduction of SO<sub>2</sub> emissions during pressurized oxy-fuel co-combustion. The aim of this work is to advance the development and application of pressurized fluidized bed oxy-fuel co-combustion technology and promote a circular bioeconomy and carbon-free waste management for biomass derived from livestock manure.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"83 ","pages":"Pages 171-181"},"PeriodicalIF":3.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144605243","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}
Yinghan Wang , Li Yang , Haoliang Wang , Hao Wu , Jingcai Cheng , Chao Yang
{"title":"Study on purification process of electronic-rade cerium ammonium nitrate through crystallization","authors":"Yinghan Wang , Li Yang , Haoliang Wang , Hao Wu , Jingcai Cheng , Chao Yang","doi":"10.1016/j.cjche.2025.03.014","DOIUrl":"10.1016/j.cjche.2025.03.014","url":null,"abstract":"<div><div>The purity of electronic-grade chemicals significantly impacts electronic components. Although crystallization has been used to purify cerium ammonium nitrate (CAN), the impurity removal mechanism underlying different crystallization parameters remains unclear. Traditional analytical methods of inductively coupled plasma mass spectrometry (ICP-MS) have problems in detecting trace Fe accurately, because of the high concentration of Ce and interference of polyatomic ions. Therefore, this study developed a new method integrating the standard addition and internal standard methods and explored the role of the kinetic energy discrimination mode. This new approach effectively overcomes Ce-related matrix interference and fills the gap in ultra-trace impurity detection. Furthermore, the study investigated the effects of cooling rate, seed mass loading and seed size on the removal of Fe impurity. The seed mass loading affects the average crystal size through regulating secondary nucleation and crystal growth. The removal of Fe in CAN is determined by surface adsorption and agglomeration. Under the condition of the cooling rate of 0.2 K·min<sup>−1</sup>, and addition of 0.5% (mass) 600–680 μm seeds, the Fe content is the lowest, at only 0.24 mg·L<sup>−1</sup>, and the Fe removal rate reaches 92.28%.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"83 ","pages":"Pages 148-159"},"PeriodicalIF":3.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144596782","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}
{"title":"Ultrasonic-assisted rapid liquid-phase exfoliation of MFI-type zeolite nanoparticle aggregates","authors":"Xinyi Gao, Qiancheng Zheng, Zhengbao Wang","doi":"10.1016/j.cjche.2025.02.029","DOIUrl":"10.1016/j.cjche.2025.02.029","url":null,"abstract":"<div><div>The preparation of dispersible MFI-type zeolite nanoparticles with open micropores is challenging. Herein, a rapid and effective ultrasound-assisted liquid-phase exfoliation method along with a freeze-drying process for redispersion of calcined silicalite-1 (S-1) zeolite nanoparticle aggregates using 3-aminopropanol as an exfoliating agent is demonstrated. The exfoliation of S-1 zeolite nanoparticles is characterized by X-ray diffraction, scanning electron microscopy and DLS particle size analysis. The effects of drying methods of as-synthesized zeolite nanoparticle suspension, zeolite contents in frozen nanoparticle suspension, exfoliating agent concentrations, and zeolite doses in ultrasonic suspension on exfoliation efficiency are systematically investigated. It is found that the S-1 zeolite nanoparticle (∼70 nm) achieves a yield up to 95% through a 30 min ultrasonic exfoliation in a 3-aminopropanol solution along with a freeze-drying process. The proposed exfoliation mechanism involves two primary stages: guest molecule insertion followed by water expansion, both substantially enhanced by tip sonication. This work offers a comprehensive understanding of the exfoliation process, provides valuable insights into the dispersion of sintered zeolite nanoparticles.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"83 ","pages":"Pages 38-50"},"PeriodicalIF":3.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144563795","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}
{"title":"Recent advances in the biosynthesis of natural products from C1 compounds","authors":"Xinzhe Zhang, Aipeng Li, Xiaohan Huang, Qiang Fei","doi":"10.1016/j.cjche.2025.03.013","DOIUrl":"10.1016/j.cjche.2025.03.013","url":null,"abstract":"<div><div>One-carbon (C1) compounds, such as CO<sub>2</sub>, methane, and methanol, are emerging as promising feedstocks for next-generation biomanufacturing due to their abundance and low cost. In recent years, there has been growing interest in harnessing microorganisms to convert these carbon sources into valuable natural products (NPs), which offers great potential for sustainable development. This review systematically outlines recent advancements in biocatalysts, synthetic biology, and process optimization aimed at improving the feasibility and scalability of producing C1-based NPs. Current challenges and insights into NPs biomanufacturing from C1 compounds are thoroughly examined in the areas of multi-gene editing, metabolic regulation, and synthetic microbial consortium. With ongoing progress in biosynthetic tools and fermentation techniques, C1-based biomanufacturing is becoming a versatile and sustainable platform for generating diverse value-added products.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"83 ","pages":"Pages 277-285"},"PeriodicalIF":3.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144631142","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}
Cheng Yu , Lin Wang , Chuanjun Han , Mingjun Du , Rui Xie , Honglin Li , Fangjun Zuo
{"title":"Experimental study of methane hydrate formation and rheological behavior in gas-water-sand system","authors":"Cheng Yu , Lin Wang , Chuanjun Han , Mingjun Du , Rui Xie , Honglin Li , Fangjun Zuo","doi":"10.1016/j.cjche.2025.03.007","DOIUrl":"10.1016/j.cjche.2025.03.007","url":null,"abstract":"<div><div>During the production of natural gas hydrates, micron-sized sand particles coexist with hydrate within the transportation pipeline, posing a significant threat to the safety of pipeline flow. However, the influence of sand particles on hydrate formation mechanisms and rheological properties remains poorly understood. Consequently, using a high-pressure reactor system, the phase equilibrium conditions, hydrate formation characteristics, hydrate concentration, and the slurry viscosity in micron-sized sand system are investigated in this work. Furthermore, the effects of sand particle size, sand concentration, and initial pressure on these properties are analyzed. The results indicate that a high concentration of micron-sized sand particles enhances the formation of methane hydrates. When the volume fraction of sand particles exceeds or equals 3%, the phase equilibrium conditions of the methane hydrate shift to the left relative to that of the pure water system(lower temperature, higher pressure). This shift becomes more pronounced with smaller particle sizes. Besides, under these sand concentration conditions, methane hydrates exhibit secondary or even multiple formation events, though the formation rate decreases. Additionally, the torque increases significantly and fluctuates considerably. The Roscoe-Brinkman model yields the most accurate slurry viscosity calculations, and as sand concentration increases, both hydrate concentration and slurry viscosity also increase.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"83 ","pages":"Pages 315-324"},"PeriodicalIF":3.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144694975","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}
{"title":"Experimental analysis of internal flow and spray characteristics of flow focusing/blurring nozzle","authors":"Jin Zhao , Zhi Ning , Ming Lv , Xu He","doi":"10.1016/j.cjche.2025.03.002","DOIUrl":"10.1016/j.cjche.2025.03.002","url":null,"abstract":"<div><div>This study utilizes a visualization nozzle and spray experimental platform to experimentally investigate the flow focusing/blurring nozzle. It is found that the working mode of the nozzle transitions from flow focusing to flow transition and eventually to flow blurring as the gas flow rate increases or the tube hole distance decreases. Conversely, an increase in liquid flow rate only facilitates the transition from flow focusing to flow transition. Changes in the gas/liquid flow rate or tube hole distance influence the gas shear effect and the gas inertial impact effect inside the nozzle, which in turn alters the working mode. An increase in gas flow rate results in a shift of the droplet size distribution towards smaller particle sizes in the flow blurring mode, whereas an increase in liquid flow rate produces the opposite effect. Notably, the impact of the gas flow rate on these changes is more pronounced than that of the liquid flow rate.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"83 ","pages":"Pages 111-124"},"PeriodicalIF":3.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144588320","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}
Menglong Wang , Yanping Yu , Baogen Su , Wenjun Zhang , Qiwei Yang
{"title":"Efficient syngas production from medical waste by CO2 thermal plasma gasification","authors":"Menglong Wang , Yanping Yu , Baogen Su , Wenjun Zhang , Qiwei Yang","doi":"10.1016/j.cjche.2025.04.007","DOIUrl":"10.1016/j.cjche.2025.04.007","url":null,"abstract":"<div><div>The production of medical waste (MW) is a growing concern, particularly in light of the increasing annual generation and the exacerbating effects of the COVID-19 pandemic. Traditional techniques such as incineration and landfilling present significant limitations. In this study, a self-designed 50 kW arc plasma reactor was employed to conduct gasification experiments on nitrile-butadiene rubber (NBR) which served as a model of MW and a mixture of NBR/SiO<sub>2</sub> which served as a model of glass-containing MW, using CO<sub>2</sub> as the working gas. The CO<sub>2</sub> thermal plasma gasification process not only ensures the safe and efficient disposal of MW, but also facilitates its effective conversion into H<sub>2</sub> and CO, achieving a carbon conversion efficiency of 94.52%. The yields of H<sub>2</sub> and CO reached 98.52% and 81.83%, respectively, and the specific energy consumption was as low as 3.55 kW·h·kg<sup>−1</sup>. Furthermore, the addition of SiO<sub>2</sub> was found to inhibit the gasification of NBR and cause damage to the reactor. Therefore, it is recommended that glass waste should be removed prior to the treatment of MW. The CO<sub>2</sub> thermal plasma gasification technology can not only eliminate environmental and health risks posed by MW, but also convert it into syngas for further utilization. This provides a promising approach to the harmless and resource disposal of MW, while also contributing to the comprehensive utilization of greenhouse gases.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"83 ","pages":"Pages 88-97"},"PeriodicalIF":3.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144588317","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}