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SCI和EI收录∣中国化工学会会刊
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Table of Content
28 August 2024, Volume 72 Issue 8
    Preface to Special Issue in Recent Advances by Young Scholars in Chemical Engineering
    Gaohong HE
    2024, 72(8):  0-0. 
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    Vitrification cryopreservation of ligaments based on zwitterionic betaine
    Liming Zhang, Xinmeng Liu, Haoyue Li, Lei Zhang
    2024, 72(8):  1-9.  doi:10.1016/j.cjche.2024.03.006
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    Ligament cryopreservation enables a prolonged shelf life of allogeneic ligament grafts, which is fundamentally important to ligament reconstruction. However, conventional cryopreservation techniques fail to eliminate the damage caused by ice crystal growth and the toxicity of cryopreservation agents (CPAs). Here, we report a novel CPA vitrification formulation primarily composed of betaine for ligament cryopreservation. Comprehensive optimization was conducted on the methods for vitrification and rewarming, as well as the loading and unloading conditions, based on the critical cooling rate (CCR), critical warming rate (CWR), and permeation properties of the CPA. Using biomechanical and histological level tests, we demonstrate the superior performance of our method in ligament cryopreservation. After 30 days of vitrification cryopreservation, parameters such as the Young's modulus, tensile stress, denaturation temperature, and glycosaminoglycans content of the ligament remained essentially unchanged. This work pioneers the application of ice-free cryopreservation for ligament and holds great potential for improving the long-term storage of ligament, providing valuable insights for future cryopreservation technique development.
    Synthesis methods and powder quality of titanium monocarbide
    Maoqiao Xiang, Wenjun Ding, Qinghua Dong, Qingshan Zhu
    2024, 72(8):  10-18.  doi:10.1016/j.cjche.2024.03.019
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    Titanium monocarbide (TiC), which is the most stable titanium-based carbide, has attracted considerable interest in the fields of energy, catalysis, and structural materials due to its excellent properties. Synthesis of high-quality TiC powders with low cost and high efficiency is crucial for industrial applications; however major challenges face its realization. Herein, the methods for synthesizing TiC powders based on a reaction system are reviewed. This analysis is focused on the underlying mechanisms by which synthesis methods affect the quality of powders. Notably, strategies for improving the synthesis of high-quality powders are analyzed from the perspective of enhancing heat and mass transfer processes. Furthermore, the critical issues, challenges, and development trends of the synthesis technology and application of high-quality TiC powder are discussed.
    Isoindigo nanoparticles for photoacoustic imaging-guided tumor photothermal therapy
    Yao Pei, Ran Wang, Xiang Rong, Xiang Xia, Hexiang Wang, Zongwei Zhang, Tian Qiu, Saran Long, Jianjun Du, Jiangli Fan, Wen Sun, Xiaojun Peng
    2024, 72(8):  19-25.  doi:10.1016/j.cjche.2024.05.010
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    The key factor in photothermal therapy lies in the selection of photothermal agents. Traditional photothermal agents generally have problems such as poor photothermal stability and low photothermal conversion efficiency. Herein, we have designed and synthesized an isoindigo (IID) dye. We used isoindigo as the molecular center and introduced common triphenylamine and methoxy groups as rotors. In order to improve the photothermal stability and tumor targeting ability, we encapsulated IID into nanoparticles. As a result, the nanoparticles exhibited high photothermal stability and photothermal conversion efficiency (67%) upon 635 nm laser irradiation. Thus, the nanoparticles demonstrated a significant inhibitory effect on live tumors in photothermal therapy guided by photoacoustic imaging and provided a viable strategy to overcome the treatment challenges.
    Acetic acid- and furfural-based adaptive evolution of Saccharomyces cerevisiae strains for improving stress tolerance and lignocellulosic ethanol production
    Omama Rehman, Youduo Wu, Quan Zhang, Jin Guo, Cuihuan Sun, Huipeng Gao, Yaqing Xu, Rui Xu, Ayesha Shahid, Chuang Xue
    2024, 72(8):  26-33.  doi:10.1016/j.cjche.2024.04.002
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    Acetic acid and furfural are known as prevalent inhibitors deriving from pretreatment during lignocellulosic ethanol production. They negatively impact cell growth, glucose uptake and ethanol biosynthesis of Saccharomyces cerevisiae strains. Development of industrial S. cerevisiae strains with high tolerance towards these inhibitors is thus critical for efficient lignocellulosic ethanol production. In this study, the acetic acid or furfural tolerance of different S. cerevisiae strains could be significantly enhanced after adaptive evolution via serial cultivation for 40 generations under stress conditions. The acetic acid-based adaptive strain SPSC01-TA9 produced 30.5 g·L-1 ethanol with a yield of 0.46 g·g-1 in the presence of 9 g·L-1 acetic acid, while the acetic acid/furfural-based adaptive strain SPSC01-TAF94 produced more ethanol of 36.2 g·L-1 with increased yield up to 0.49 g·g-1 in the presence of both 9 g·L-1 acetic acid and 4 g·L-1 furfural. Significant improvements were also observed during non-detoxified corn stover hydrolysate culture by SPSC01-TAF94, which achieved ethanol production and yield of 29.1 g·L-1 and 0.49 g·g-1, respectively, the growth and fermentation efficiency of acetic acid/furfural-based adaptive strain in hydrolysate was 95% higher than those of wildtype strains, indicating the acetic acid- and furfural-based adaptive evolution strategy could be an effective approach for improving lignocellulosic ethanol production. The adapted strains developed in this study with enhanced tolerance against acetic acid and furfural could be potentially contribute to economically feasible and sustainable lignocellulosic biorefinery.
    Modeling solubility of oxaprozin and irbesartan in biorelevant complex solutions based on a combination of pH-dependent and micellar solubilization models
    Chen Shen, Yuanhui Ji
    2024, 72(8):  34-43.  doi:10.1016/j.cjche.2024.03.025
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    Biological solubility is one of the important basic parameters in the development process of poorly soluble drugs, but the current measurement methods are mainly based on a large number of experiments, which are time-consuming and cost-intensive. There is still a lack of effective theoretical models to accurately describe and predict the biological solubility of drugs to reduce costs. Therefore, in this study, osaprazole and irbesartan were selected as model drugs, and their solubility in solutions containing surfactants and biorelevant media was measured experimentally. By calculating the parameters of each component using the perturbed-chain statistical associating fluid theory (PC-SAFT) model, combined with pH-dependent and micellar solubilization models, the thermodynamic phase behavior of the two drugs was successfully modeled, and the predicted results were in good agreement with the experimental values. These results demonstrate that the model combination used provides important basic parameters and theoretical guidance for the development and screening of poorly soluble drugs and related formulations.
    Preparation of a zeolite-palladium composite membrane for hydrogen separation: Influence of zeolite film on membrane stability
    Hongmei Wu, Xinyu Liu, Yu Guo
    2024, 72(8):  44-52.  doi:10.1016/j.cjche.2024.01.011
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    With the development of hydrogen energy, palladium-based membranes have been widely used in hydrogen separation and purification. However, the poor chemical stability of palladium composite membranes limits their commercial applications. In this study, a zeolite-palladium composite membrane with a sandwich-like structure was obtained by using a TS-1 zeolite film grown on the surface of palladium membrane. The membrane microstructure was characterized by SEM and EDX. The effects of the TS-1 film on the hydrogen permeability and stability of palladium composite membrane were investigated in details. Benefited from the protection of the TS-1 zeolite film, the stability of palladium composite membrane was enhanced. The results indicate that the TS-1-Pd composite membrane was stable after eight cycles of the temperature exchange cycles between 773 K and 623 K. Especially, the loss of hydrogen permeance for TS-1-Pd composite membrane was much smaller than that of the pure palladium membrane when the membrane was tested in the presence of C3H6 atmosphere. It indicated that the TS-1-Pd composite membrane had better chemical stability in comparison with pure palladium membrane, owing to its sandwich-like structure. This work provides an efficient way for the deposition of zeolite film on palladium membrane to enhance the membrane stability.
    Simple substituents make big differences in photophysical performances of 2,1,3-benzothiadizole-conjugated spiropyrans
    Xiaoming Zhu, Yunting Liu, Mingyue Cao, Guangle Niu
    2024, 72(8):  53-59.  doi:10.1016/j.cjche.2024.04.016
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    Developing multifunctional spiropyran dyes is of particular importance in diverse applications. In the present study, we synthesized two 2,1,3-benzothiadiazole-conjugated spiropyrans (BT-SP-NO2 and BT-SP-NMe2) with distinct substituents. These donor-acceptor-structured spiropyrans exhibited typical twisted intramolecular charge transfer features and strong emissions in low-polarity solvents with fluorescence quantum yields (QYs) of up to 90.7%. Like traditional spiropyrans, the electron-acceptor-substituted BT-SP-NO2 exhibited excellent photochromic behavior under multiple alternating UV-Vis irradiation, while the electron-donor-substituted BT-SP-NMe2 was an acidochromic dye. In addition, the substituent groups distinctly affected the packing modes of these spiropyrans in the solid state. BT-SP-NMe2 showed a much stronger solid-state emission (QY of 59.0%) than BT-SP-NO2. Moreover, these two dyes were utilized as biocompatible probes for the specific light-up imaging of lipid droplets.
    Regulating the oxidation state of Pd to enhance the selective hydrogenation for 5-hydroxymethylfurfural
    Xin Li, Yue Ma, Xuning Wang, Jianguo Wu, Dong Cao, Daojian Cheng
    2024, 72(8):  60-68.  doi:10.1016/j.cjche.2024.05.006
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    The highly selective hydrogenation of 5-hydroxymethylfurfural to 2,5-dihydroxymethylfuran is an important reaction in the field of biomass hydrogenation, because it is a bridge between biomass resources and chemical industry. Here, we precisely constructed carbon nitride supported Pd-based catalysts by a simple impregnation-reduction method. By changing the reduction temperature, catalysts with different oxidation state could be precisely constructed. Moreover, the important correlation between the ratio of Pd0/Pd2+ and catalytic activity is revealed during the selective hydrogenation of HMF. The Pd/g-C3N4-300 catalyst with a Pd0/Pd2+ ratio of 3/2 showed the highest catalytic activity, which could get 96.9% 5-hydroxymethylfurfural conversion and 90.3% 2,5-dihydroxymethylfuran selectivity. Further density functional theory calculation revealed that the synergistic effect between Pd0 and Pd2+ in Pd/g-C3N4-300 system could boost the adsorption of the substrate and the dissociation of hydrogen. In this work, we highlight the important correlation between metal oxidation state and catalytic activity, which provides valuable insights for the rational design of precious metal catalysts for hydrogenation reactions.
    Three-dimensionally oriented organization of hexagonal MIL-96 microplates toward superior film microstructure
    Sixing Chen, Xinmiao Jin, Yuyang Wu, Taotao Ji, Fei Wang, Yi Liu
    2024, 72(8):  69-73.  doi:10.1016/j.cjche.2024.06.004
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    Preferential orientation control of metal-organic framework (MOF) films is advantageous for maximizing pore uniformity and minimizing grain-boundary defects. Nonetheless, the preparation of MOF films with both in-plane and out-of-plane orientations remains a grand challenge. In this study, we reported the preparation of three-dimensionally oriented MIL-96 layers through combining morphology control of MIL-96 seeds with addition of polyvinylpyrrolidone surfactants and arachidonic acids. The three-dimensionally oriented MIL-96 film was readily obtained through in-plane epitaxial growth. It is anticipated that the aforementioned protocol can be effective for obtaining diverse MOF films with a three-dimensionally oriented organization.
    Photocatalytic ozonation-based degradation of phenol by ZnO-TiO2 nanocomposites in spinning disk reactor
    Xueqing Ren, Jiahao Niu, Yan Li, Lei Li, Chao Zhang, Qiang Guo, Qiaoling Zhang, Weizhou Jiao
    2024, 72(8):  74-84.  doi:10.1016/j.cjche.2024.03.028
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    Spinning disk reactor (SDR) has emerged as a novel process intensification photocatalytic reactor, and it has higher mass transfer efficiency and photon utilization for the degradation of toxic organic pollutants by advanced oxidation processes (AOPs). In this study, ZnO-TiO2 nanocomposites were prepared by sol-gel method, and coated on the disk of SDR by impregnation-pull-drying-calcination method. The performance of catalyst was characterized by X-ray diffraction, scanning electron microscope, X-ray photoelectron spectroscopy, photoluminescence and ultraviolet-visible diffuse reflectance spectroscopy. Photocatalytic ozonation in SDR was used to remove phenol, and various factors on degradation effect were studied in detail. The results showed that the rate of degradation and mineralization reached 100% and 83.4% under UV light irradiation after 50 min, compared with photocatalysis and ozonation, the removal rate increased by 69.3% and 34.7%, and mineralization rate increased by 56.7% and 62.9%, which indicated that the coupling of photocatalysis and ozonation had a synergistic effect. The radical capture experiments demonstrated that the active species such as photogenerated holes (h+), hydroxyl radicals (·OH), superoxide radical (·O2-) were responsible for phenol degradation, and ·OH played a leading role in the degradation process, while h+ and ·O2- played a non-leading role.
    Accelerating Factor Xa inhibitor discovery with a de novo drug design pipeline
    Yujing Zhao, Qilei Liu, Jian Du, Qingwei Meng, Liang Sun, Lei Zhang
    2024, 72(8):  85-94.  doi:10.1016/j.cjche.2024.01.021
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    Small-molecule drugs are essential for maintaining human health. The objective of this study is to identify a molecule that can inhibit the Factor Xa protein and be easily procured. An optimization-based de novo drug design framework, DrugCAMD, that integrates a deep learning model with a mixed-integer nonlinear programming model is used for designing drug candidates. Within this framework, a virtual chemical library is specifically tailored to inhibit Factor Xa. To further filter and narrow down the lead compounds from the designed compounds, comprehensive approaches involving molecular docking, binding pose metadynamics (BPMD), binding free energy calculations, and enzyme activity inhibition analysis are utilized. To maximize efficiency in terms of time and resources, molecules for in vitro activity testing are initially selected from commercially available portions of customized virtual chemical libraries. In vitro studies assessing inhibitor activities have confirmed that the compound EN300-331859 shows potential Factor Xa inhibition, with an IC50 value of 34.57 μmol·L-1. Through in silico molecular docking and BPMD, the most plausible binding pose for the EN300-331859-Factor Xa complex are identified. The estimated binding free energy values correlate well with the results obtained from biological assays. Consequently, EN300-331859 is identified as a novel and effective sub-micromolar inhibitor of Factor Xa.
    Continuous synthesis of N, N-dicyanoethylaniline in microreactors: Reaction kinetics and process intensification
    Pengcheng Lu, Yaoyao Li, Jianjun Zhang, Yuchao Zhao, Qingqiang Wang, Ying Chen, Nan Jin, Xiugang Yu
    2024, 72(8):  95-105.  doi:10.1016/j.cjche.2024.06.001
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    Cyanoethylation of phenylamine is one of the important steps for the production of dicyanoethyl-based disperse dyes. However, the exothermic nature of this reaction and the inherent instability of intermittent dynamic operation pose challenges in achieving both high safety and reaction efficiency. In this study, a continuous cyanoethylation of phenylamine for synthesizing N, N-dicyanoethylaniline in a microreactor system has been developed. By optimizing the reaction conditions, the reaction time was significantly reduced from over 2 h in batch operation to approximately 14 min in the microreactor, while high conversion and selectivity were maintained. Based on the reaction network constructed, the reaction kinetics was established, and the kinetic parameters were then determined. These findings provide valuable insights into a controllable cyanoethylation reaction, which would be helpful for the design of efficient processes and optimization of reactors.
    Tuning the cross-linked structure of basic poly(ionic liquid) to develop an efficient catalyst for the conversion of vinyl carbonate to dimethyl carbonate
    Zhaoyang Qi, Shiquan Zhong, Huiyun Su, Changshen Ye, Limei Ren, Ting Qiu, Jie Chen
    2024, 72(8):  106-116.  doi:10.1016/j.cjche.2024.05.007
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    Dimethyl carbonate (DMC) is a crucial chemical raw material widely used in organic synthesis, lithium-ion battery electrolytes, and various other fields. The current primary industrial process employs a conventional sodium methoxide basic catalyst to produce DMC through the transesterification reaction between vinyl carbonate and methanol. However, the utilization of this catalyst presents several challenges during the process, including equipment corrosion, the generation of solid waste, susceptibility to deactivation, and complexities in separation and recovery. To address these limitations, a series of alkaline poly(ionic liquid)s, i.e. [DVBPIL][PHO], [DVCPIL][PHO], and [TBVPIL][PHO], with different cross-linking degrees and structures, were synthesized through the construction of cross-linked polymeric monomers and functionalization. These poly(ionic liquid)s exhibit cross-linked structures and controllable cationic and anionic characteristics. Research was conducted to investigate the effect of the cross-linking degree and structure on the catalytic performance of transesterification in synthesizing DMC. It was discovered that the appropriate cross-linking degree and structure of the [DVCPIL][PHO] catalyst resulted in a DMC yield of up to 80.6%. Furthermore, this catalyst material exhibited good stability, maintaining its catalytic activity after repeated use five times without significant changes. The results of this study demonstrate the potential for using alkaline poly(ionic liquid)s as a highly efficient and sustainable alternative to traditional catalysts for the transesterification synthesis of DMC.
    An integrated technology for the absorption and utilization of CO2 in alkanolamine solution for the preparation of BaCO3 in a high-gravity environment
    Kangrui Nie, Ruize Shang, Fuming Miao, Liuxiang Wang, Youzhi Liu, Weizhou Jiao
    2024, 72(8):  117-125.  doi:10.1016/j.cjche.2024.04.012
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    In this study, an integrated technology is proposed for the absorption and utilization of CO2 in alkanolamine solution for the preparation of BaCO3 in a high-gravity environment. The effects of absorbent type, high-gravity factor, gas/liquid ratio, and initial BaCl2 concentration on the absorption rate and amount of CO2 and the preparation of BaCO3 are investigated. The results reveal that the absorption rate and amount of CO2 follow the order of ethyl alkanolamine (MEA) > diethanol amine (DEA) > N-methyldiethanolamine (MDEA), and thus MEA is the most effective absorbent for CO2 absorption. The absorption rate and amount of CO2 under high gravity are higher than that under normal gravity. Notably, the absorption rate at 75 min under high gravity is approximately 2 times that under normal gravity. This is because the centrifugal force resulting from the high-speed rotation of the packing can greatly increase gas-liquid mass transfer and micromixing. The particle size of BaCO3 prepared in the rotating packed bed is in the range of 57.2-89 nm, which is much smaller than that prepared in the bubbling reactor (>100.3 nm), and it also has higher purity (99.6%) and larger specific surface area (14.119 m2·g-1). It is concluded that the high-gravity technology has the potential to increase the absorption and utilization of CO2 in alkanolamine solution for the preparation of BaCO3. This study provides new insights into carbon emissions reduction and carbon utilization.
    Direct observation of ordered-disordered structural transition of MoS2-confined ionic liquids
    Yumiao Lu, Weilu Ding, Kun Li, Yanlei Wang, Bobo Cao, Ruirui He, Hongyan He
    2024, 72(8):  126-132.  doi:10.1016/j.cjche.2024.05.015
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    Ionic liquids (ILs) are an emerging class of media of fundamental importance for chemical engineering, especially due to their interaction with solid surfaces. Here, we explore the growth phenomenon of surface-confined ILs and reveal a peculiar structural transition behavior from order to disorder above a threshold thickness. This behavior can be explained by the variation of interfacial forces with increasing distance from the solid surface. Direct structural observation of different ILs highlights the influence of the ionic structure on the growth process. Notably, the length of the alkyl chain in the cation is found to be a determining factor for the ordering trend. Also, the thermal stability of surface-confined ILs is investigated in depth by controlling annealing treatments. It is found that the ordered monolayer ILs exhibit high robustness against high temperatures. Our findings provide new perspectives on the properties of surface-confined ILs and open up potential avenues for manipulating the structures of nanometer-thick IL films for various applications.
    Kinetics insights into size effects of carbon nanotubes’ growth and their supported platinum catalysts for 4,6-dinitroresorcinol hydrogenation
    Yan Zhang, Xiangxue Zhang, Keng Sang, Wenyao Chen, Gang Qian, Jing Zhang, Xuezhi Duan, Xinggui Zhou, Weikang Yuan
    2024, 72(8):  133-140.  doi:10.1016/j.cjche.2024.05.012
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    Size effects are a well-documented phenomenon in heterogeneous catalysis, typically attributed to alterations in geometric and electronic properties. In this study, we investigate the influence of catalyst size in the preparation of carbon nanotube (CNT) and the hydrogenation of 4,6-dinitroresorcinol (DNR) using Fe2O3 and Pt catalysts, respectively. Various Fe2O3/Al2O3 catalysts were synthesized for CNT growth through catalytic chemical vapor deposition. Our findings reveal a significant influence of Fe2O3 nanoparticle size on the structure and yield of CNT. Specifically, CNT produced with Fe2O3/Al2O3 containing 28% (mass) Fe loading exhibits abundant surface defects, an increased area for metal-particle immobilization, and a high carbon yield. This makes it a promising candidate for DNR hydrogenation. Utilizing this catalyst support, we further investigate the size effects of Pt nanoparticles on DNR hydrogenation. Larger Pt catalysts demonstrate a preference for 4,6-diaminoresorcinol generation at (1 0 0) sites, whereas smaller Pt catalysts are more susceptible to electronic properties. The kinetics insights obtained from this study have the potential to pave the way for the development of more efficient catalysts for both CNT synthesis and DNR hydrogenation.
    Characteristics and mechanism of Ni2+ and Cd2+ adsorption by recovered perlite from agar extraction residue
    Juan Wang, Yanbing Zhu, Zedong Jiang, Xiping Du, Mingjing Zheng, Lijun Li, Hui Ni, Yuanpeng Wang, Zhipeng Li, Qingbiao Li
    2024, 72(8):  141-152.  doi:10.1016/j.cjche.2024.06.005
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    Ni2+ and Cd2+ in wastewater accumulated through the ecological chain and could jeopardize human health. Adsorption of Ni2+ and Cd2+ from wastewater using recovered perlite was an important way to solve the problem of resource utilization of solid waste from agar production. Our previous study confirmed that recovered perlite from agar extraction residue had better pore size and specific surface area than commercial perlite. However, the adsorption efficiency and adsorption mechanism of recovered perlite were the main factors limiting its adsorption application. The adsorption process of Ni2+ and Cd2+ by recovered perlite in aqueous solution was described by the pseudo-second-order kinetic equation, and the relevant adsorption mechanism was mainly chemisorption. Compared with commercial perlite, the adsorption removal rate of Ni2+ and Cd2+ by enzymatic recovered perlite could reach 92.9% and 89.2%, respectively, and were improved by 12.63% and 13.03%. Langmuir isothermal adsorption model could better describe the isothermal adsorption process of recovered perlite on heavy metal Ni2+ and Cd2+, and the relevant adsorption mechanism was mainly monolayer adsorption. The X-ray photoelectron spectroscopy (XPS) results indicated that the decrease of Si-O Si2+ hydroxyl coordination bond and the increase of C-Si bond might make the binding effect of recovered perlite with heavy metals stronger. The competitive adsorption of Ni2+ and Cd2+ by recovered perlite was still dominated by chemisorption and monolayer adsorption. This study was expected to provide a theoretical basis and technical support for the removal of Ni2+ and Cd2+ from wastewater using recovered perlite from seaweed residue.
    Highly dispersed MgInCe-mixed metal oxides catalyzed direct carbonylation of glycerol and CO2 into glycerol carbonate
    Xufang Chen, Xin Shu, Yanru Zhu, Jian Zhang, Zhigang Chai, Hongyan Song, Zhe An, Jing He
    2024, 72(8):  153-163.  doi:10.1016/j.cjche.2024.05.014
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    Glycerol carbonate, an important glycerol value-added product, has been widely used as an active intermediate and inert solvent in the synthesis of cosmetics, detergents, chemical intermediates, polymers, and so on. The direct carbonylation from glycerol with CO2 is considered a promising route, but still tough work due to the thermodynamic stability and the kinetic inertness of CO2. In this work, highly-selective direct carbonylation of glycerol and CO2 into glycerol carbonate has been achieved over highly dispersed MgInCe-mixed metal oxides (MgInCe-MMO), which were prepared through the topological transformation derived from the MgInCe-layered double hydroxides (MgInCe-LDHs). By precisely modulating the surface basic-acidic properties and the oxygen vacancies, an efficient carbonylation of glycerol with CO2 has been achieved with a selectivity of up to >99% to glycerol carbonate. Deep investigation into the synergistic catalysis of base-acid sites and oxygen vacancies has been clarified.
    Temperature-dependent solubility of Rebaudioside A in methanol/ethanol and ethyl acetate mixtures: Experimental measurements and thermodynamic modeling
    Zhenguang Liu, Zexiang Ding, Yifeng Cao, Baojian Liu, Qiwei Yang, Zhiguo Zhang, Qilong Ren, Zongbi Bao
    2024, 72(8):  164-176.  doi:10.1016/j.cjche.2024.05.020
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    The equilibrium solubility of Rebaudioside A (Reb A) Form II in binary mixtures of methanol/ethanol and ethyl acetate was quantitatively determined within the temperature range of 283.15-328.15 K at ambient pressure. The experimental findings indicate a positive correlation between the solubility of Reb A (Form II) and both the temperature and the methanol/ethanol content in the solvent system. To describe the solubility data, six distinct models were employed: the modified Apelblat equation, the λh model, the combined nearly ideal binary solvent/Redlich-Kister (CNIBS/R-K) model, the van't Hoff-Jouyban-Acree (VJA) model, the Apelblat-Jouyban-Acree (AJA) model, and the non-random two-liquid (NRTL) model. The combined nearly ideal binary solvent/Redlich-Kister model exhibited the most precise fit for solubility in methanol + ethyl acetate mixtures, reflected by an average relative deviation (ARD) of 0.0011 and a root mean square deviation (RMSD) of 12×10-7. Conversely, for ethanol + ethyl acetate mixtures, the modified Apelblat equation provided a superior correlation (ARD = 0.0014, RMSD = 4×10-7). Furthermore, thermodynamic parameters associated with the dissolution of Reb A (Form II), including enthalpy, entropy, and the Gibbs energy change, were inferred from the data. The findings underscore that the dissolution process is predominantly endothermic across the solvent systems examined. Notably, the entropy changes appear to have a significant influence on the Gibbs free energy associated with the dissolution of Reb A (Form II), suggesting that entropic factors may play a pivotal role in the studied systems.
    Effect of internal structure of a batch-processing wet-etch reactor on fluid flow and heat transfer
    Qinghang Deng, Junqi Weng, Lei Zhou, Guanghua Ye, Xinggui Zhou
    2024, 72(8):  177-186.  doi:10.1016/j.cjche.2024.05.002
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    Batch-processing wet-etch reactors are the key equipment widely used in chip fabrication, and their performance is largely affected by the internal structure. This work develops a three-dimensional computational fluid dynamics (CFD) model considering heat generation of wet-etching reactions to investigate the fluid flow and heat transfer in the wet-etch reactor. The backflow is observed below and above the wafer region, as the flow resistance in this region is high. The temperature on the upper part of a wafer is higher due to the accumulation of reaction heat, and the average temperature of the side wafer is highest as its convective heat transfer is weakest. Narrowing the gap between wafer and reactor wall can force the etchant to flow in the wafer region and then facilitate the convective heat transfer, leading to better within-wafer and wafer-to-wafer etch uniformities. An inlet angle of 60° balances fluid by-pass and mechanical energy loss, and it yields the best temperature and etch uniformities. The batch with 25 wafers has much wider flow channels and much lower flow resistance compared with that with 50 wafers, and thus it shows better temperature and etch uniformities. These results and the CFD model should serve to guide the optimal design of batch-processing wet-etch reactors.
    Thermal stable Pt clusters anchored by K/TiO2-Al2O3 for efficient cycloalkane dehydrogenation
    Zhendong Wang, Bofeng Zhang, Guozhu Liu, Xiangwen Zhang
    2024, 72(8):  187-198.  doi:10.1016/j.cjche.2024.05.018
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    Catalytic dehydrogenation of cycloalkanes is considered a valuable endothermic process for alleviating the thermal barrier issue of hypersonic vehicles. However, conventional Pt-based catalysts often face the severe problem of metal sintering under high-temperature conditions. Herein, we develop an efficient K2CO3-modified Pt/TiO2-Al2O3 (K-Pt/TA) for cycloalkane dehydrogenation. The optimized K-Pt/TA showed a high specific activity above 27.9 mol·mol-1·s-1(H2/Pt), with toluene selectivity above 90.0% at 600 °C with a high weight hourly space velocity of 266.4 h-1. The introduction of alkali metal ions could generate titanate layers after high-temperature hydrogen reduction treatment, which promotes the generation of oxygen vacancy defects to anchored Pt clusters. In addition, the titanate layers could weaken the surface acidity of catalysts and inhibit side reactions, including pyrolysis, polymerization, and isomerization reactions. Thus, this work provides a modification method to develop efficient and stable dehydrogenation catalysts under high-temperature conditions.
    Anion exchange membranes with a semi-interpenetrating polymer network using 1,6-dibromohexane as bifunctional crosslinker
    Aijie Li, Zhanliang Wang, Zhihao Si, Lu Lu, Peipei Huang, Jinhong Liu, Songyuan Yao, Peiyong Qin, Xinmiao Zhang
    2024, 72(8):  199-208.  doi:10.1016/j.cjche.2024.04.026
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    An anion exchange membrane (AEM) is generally expected to possess high ion exchange capacity (IEC), low water uptake (WU), and high mechanical strength when applied to electrodialysis desalination. Among different types of AEMs, semi-interpenetrating polymer networks (SIPNs) have been suggested for their structural superiorities, i.e., the tunable local density of ion exchange groups for IEC and the restrained leaching of hygroscopic groups by insolubility for WU. Unfortunately, the conventional SIPN AEMs still struggle to balances IEC, WU, and mechanical strength simultaneously, due to the lack of the compact crosslinking region. In this work, we proposed a novel SIPN structure of polyvinylidene difluoride/polyvinylimidazole/1,6-dibromohexane (PVDF/PVIm/DBH). On the one hand, DBH with two cationic groups of imidazole groups are introduced to enhance the ion conductivity, which is different from the conventional monofunctional modifier with only one cationic group. On the other hand, DBH has the ability to bridge with PVIm, where the mechanical strength of the resulting AEM is increased by the increase of crosslinking degree. Results show that a low WU of 38.1% to 62.6%, high IEC of 2.12-2.22 mmol·g-1, and excellent tensile strength of 3.54-12.35 MPa for PVDF/PVIm/DBH membrane are achieved. This work opens a new avenue for achieving the high-quality AEMs.
    Evaluation and application of kinetic models for Cu-catalyzed acetylene hydrochlorination
    Tianxiao Huang, Binhang Yan
    2024, 72(8):  209-219.  doi:10.1016/j.cjche.2024.05.019
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    The development of environmentally friendly catalysts has become a top priority for acetylene hydrochlorination. However, difficulties remain in systematic studies on the applicability of kinetic models for the industrialization of Cu-based catalysts. Therefore, a strategy involving reactor modeling, parameter estimation, and model testing is developed to evaluate the predictive ability of kinetic models. In order to search for reliable and widely applicable reaction kinetic models for Cu-based catalysts, a case study is conducted. Multiple possible kinetic models derived from the power law, adsorption mechanism, and reaction path are sifted through collecting and testing activity data from tens of Cu-based catalysts. Different optimum applicable ranges of these kinetic models are presented. According to the comparative analysis on their applications in various industrial scenarios, this research suggests that kinetic models derived from reaction path exhibits the best extrapolation ability and has the greatest potential for application in the scale-up design of reactors.
    Plasma membrane-anchored fluorescent tracker based on boron-dipyrromethene
    Yucong Gong, Xiangli Li, Daqing Ma, Lai Wang, Lin Zhou, Caiwei Lu, Yi Xiao, Xinfu Zhang
    2024, 72(8):  220-225.  doi:10.1016/j.cjche.2024.06.002
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    The construction of a stable-membrane tracker has significant implications for the visualization of the membrane in live cells. However, most current plasma trackers are not suitable for tracking plasma membranes for a long time due to their limited retention time. Herein, Mem580-F-Sulfo is designed to target and anchor cell membranes and therefore track cell membranes for a longer time. This tracker is composed of a lipophilic boron-dipyrromethene (BODIPY) derivative and a hydrophilic zwitterion to form an amphiphilic structure, which enables its targeting ability toward cell membranes. Moreover, a reactive ester group is included to bind with proteins through covalent bonds in cell membranes non-specifically, which extends retention time in cell membranes. Mem580-F-Sulfo shows intense brightness (94600), with a high molar absorption coefficient of up to about 100000 L·mol-1·cm-1 and a fluorescence quantum yield of up to 0.97. It shows fast cell membrane targeting ability and long retention up to 90 min. In brief, this work has not only developed a tracker with good cell membrane targetability but also provided a new strategy for improving the targeting stability of cell membranes.
    The chance of sodium titanate anode for the practical sodium-ion batteries
    Feng Chen, Haoyu Li, Xianyan Qiao, Ruoyang Wang, Changyan Hu, Ting Chen, Yifan Niu, Benhe Zhong, Zhenguo Wu, Xiaodong Guo
    2024, 72(8):  226-244.  doi:10.1016/j.cjche.2024.05.022
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    Supporting sustainable green energy systems, there is a big demand gap for grid energy storage. Sodium-ion storage, especially sodium-ion batteries (SIBs), have advanced significantly and are now emerging as a feasible alternative to the lithium-ion batteries equivalent in large-scale energy storage due to their natural abundance and prospective inexpensive cost. Among various anode materials of SIBs, beneficial properties, such as outstanding stability, great abundance, and environmental friendliness, make sodium titanates (NTOs), one of the most promising anode materials for the rechargeable SIBs. Nevertheless, there are still enormous challenges in application of NTO, owing to its low intrinsic electronic conductivity and collapse of structure. The research on NTOs is still in its infancy; there are few conclusive reviews about the specific function of various modification methods. Herein, we summarize the typical strategies of optimization and analysis the fine structures and fabrication methods of NTO anodes combined with the application of in situ characterization techniques. Our work provides effective guidance for promoting the continuous development, equipping NTOs in safety-critical systems, and lays a foundation for the development of NTO-anode materials in SIBs.