CHINESE JOURNAL OF CHEMICAL ENGINEERING
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2015
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IF 1.098
Yiyang Kong,Binjie Hu,Yanqing Guo,Yifan Wu
Room temperature ionic liquids (RTILs) are non-volatile organic salts. They may replace conventional coalescing agents in latex coating thus reducing volatile organic compounds (VOCs) emission as well as improving performance of latex coating products such as better thermal stability, conductivity, and antifouling property. The formation of latex coating containing RTILs can be achieved by encapsulation of RTILs inside particles via miniemulsion polymerization. In this study, the role of RTILs and its concentration on stability of miniemulsion during storage and polymerization were investigated. It has been found that, above a critical concentration (10 wt%), adding more RTILs to oil phase may weaken miniemulsion stability during storage as well as polymerization. Such observations were consistent with the zeta potential measurement for miniemulsions prepared at the similar conditions. The results obtained here would be a useful guideline for the development of new waterborne coating products with desirable functions and particle sizes.
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
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2024
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IF 7.7
Yujia Liu,Lina Zhang,Qurat ul Ain,Zhangfa Tong
Cellulose acetate (CA) is an important cellulose derivative with a wide range of applications. To adopt a more efficient and environmentally friendly method to synthesize cellulose acetate, a binary ionic liquid mixture of 1-butyl-3-methylimidazole chloride salt (BmimCl) and 1-butyl-3-methyldihydroimidazole phosphate (BmimH 2 PO 4 ) was used. Compared to the conventional methods, this approach didn't require pre-activation of cellulose and the process of homogeneous acetylation proceeded without a catalyst. By simply adjusting the reaction conditions, cellulose acetate with a degree of substitution (DS) in the range of 0.83–3.0 was produced by one-step homogeneous acetylation without hydrolysis. Furthermore, the cellulose acetate film produced by solvent casting exhibited smooth surface characteristics, 95 % transparency, and 57.9 MPa tensile strength. Therefore, this study highlights the importance of using binary ionic liquid mixtures for facile synthesis of cellulose acetate. Due to their excellent transparency and mechanical properties, newly synthesized cellulose acetate films could replace commercial films.
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JOURNAL OF HAZARDOUS MATERIALS
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2024
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IF 12.2
Beibei Li,Ruijuan Qu,Ting Wang,Ruixue Guo,Jie Tian,Shuyi Li,Mostafa R. Abukhadra,Rehab Khaled Mahmoud,Zunyao Wang
In this investigation, we conducted a detailed analysis of the oxidation of 16 imidazole ionic liquid variants by Fe(VI) under uniform experimental setups, thereby securing a dataset of second-order reaction rate constants ( k obs ). This methodology ensures superior data consistency and comparability over traditional methods that amalgamate disparate data from varied studies. Utilizing 16 chemical structural parameters obtained via Density Functional Theory (DFT) as descriptors, we developed a Quantitative Structure Activity Relationship (QSAR) model. Through rigorous correlation analysis, Principal Component Analysis (PCA), Multiple Linear Regression (MLR), and Applicability Domain (AD) evaluation, we identified a pronounced negative correlation between the molecular orbital gap energy ( E gap) and k obs . MLR analysis further underscored E gap as a pivotal predictive variable, with its lower values indicating heightened oxidative reactivity towards Fe(VI) in the ionic liquids, leading the QSAR model to achieve a predictive accuracy of 0.95. Furthermore, we integrated an advanced machine learning approach - Random Forest Regression (RFR), which adeptly highlighted the critical factors influencing the oxidation efficiency of imidazole ionic liquids by Fe(VI) through elaborate decision trees , feature importance assessment, Recursive Feature Elimination (RFE), and cross-validation strategies. The RFR model demonstrated a remarkable predictive performance of 0.98. Both QSAR and RFR models pinpointed E gap as a key descriptor significantly affecting oxidation efficiency, with the RFR model presenting lower root mean square errors , establishing it as a more reliable predictive tool. The application of the RFR model in this study significantly improved the model's stability and the intuitive display of key influencing factors, introducing promising advanced analytical tools to the field of environmental chemistry .
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SEPARATION AND PURIFICATION TECHNOLOGY
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2025
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IF 9
Qingqiang Xu,Haoran Yin,Dong Zhou,Kang Sun,Dinghua Liu,Yifeng Chen,Xiaoyan Ji
N-methyldiethanolamine (MDEA) is a commercial amine with the deficiency of slow CO 2 absorption rate. In this study, four amino-functionalized ionic liquids (AFILs), i.e., tetraethylenepentamine dimethylimidazole, pentaethylenehexamine dimethylimidazole ([TMTD][2-MI]), tetraethylenepentamine piperazine, and pentaethylenehexamine piperazine, are synthesized to promote CO 2 absorption rate in aqueous MDEA. The result shown that CO 2 absorption rate in 20 wt% aqueous MDEA-10 wt% [TMTD][2-MI] was 10.7 times than that of 30 wt% aqueous MDEA, demonstrating the highest CO 2 absorption rate intensification in aqueous MDEA reported so far. Furthermore, the mechanism underlying the intensified CO 2 absorption rate was elucidated through pH measurement and nuclear magnetic resonance. The comprehensive ability of CO 2 absorption and deprotonation of [TMTD][2-MI] was the dominant factor for the excellent CO 2 absorption rate intensification.
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JOURNAL OF MOLECULAR STRUCTURE
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2024
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IF 4
Panpan Li,Zhe Li,Shangying Liu,Cuiping Li,Lei Ma,Chunliu Yang,Dandan Han,Can Niu,Xuelian Xin,Fugang Li
In this work, a metal-organic framework (MOF), {[Ba 2 L(NO 3 ) (DMF) 2 ] (DMF·H 2 O)} n , denoted as HBU-167, was synthesized under solvothermal conditions. HBU-167 obtained a 3D layer framework comprising the imidazole carboxylic acid ligand and Ba 2+ as nodes. It was demonstrated to have an adsorption capacity for Congo red (CR), with an adsorption capacity of 407.37 mg•g −1 and a removal rate of 65.46 %. To improve the adsorption capacity of HBU-167, simply impregnated three imidazole/pyridine-based ionic liquids (ILs) onto HBU-167 to obtain IL@HBU-167 for efficient CR adsorption. The results of Powder X-ray diffraction, Fourier transform infrared spectroscopy, and scanning electron microscopy revealed that ILs successfully bonded to HBU-167. Adsorption experiments on CR revealed that IL@HBU-167 exhibited increased stability as well as improved adsorption capacity. The adsorption capabilities of the IL@HBU-167 were 440.70 mg•g −1 , 491.23 mg•g −1 , and 544.56 mg•g −1 , respectively, while the removal rates were 72.96 %, 75.00 %, and 83.28 %, respectively. Batch experiments were applied to analyze the impact of factors such as contact time, initial concentration, pH, temperature, and ionic strength on the adsorption of CR by IL@HBU-167. The maximum adsorption capacity was observed at 25 °C and pH = 6. The kinetic data indicated that the adsorption conformed to the pseudo-second-order kinetic model. The Langmuir isothermal model accurately described isothermal data. Furthermore, the adsorption capacity of IL@HBU-167 was investigated in real water samples from various sources. The results showed that IL@HBU-167 can be used as an innovative and inexpensive adsorbent for the removal of CR from water. The adsorption capacity was mainly derived from π-π, electrostatic interactions, and hydrogen bonding between IL@HBU-167 and CR.
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FUEL
·
2024
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IF 6.7
Xin Guo,Zhiyuan Wang,Siqi Jiang,Mengwei Li,Jianing Guo,Yu Cui,Xueyang Wei,Baohui Qi,Qizhong Huang,Yanduo Liu,Hongquan Jiang,Yufeng Hu
Photocatalytic technology for converting CO 2 into useful chemicals or clean energy is an effective strategy to solve today's energy and environmental problems. In this study, we present a direct photocatalytic pathway for the conversion of CO 2 -to-CO involving the formation and activation of carboxyl intermediates over amino-functionalized ionic liquid (3-aminopiperidine hydrochloride, [3APip]Cl)-modified titanium silicalite-1 (TS-1) molecular sieve nanosheets . Various in-situ characterizations reveal that the key to activating this pathway lies in the CO 2 adsorption capacity and the efficiency of photoexcited charge migration induced by [3APip]Cl in the hybrid catalyst. In the above catalytic pathway, CO 2 molecules are first adsorbed on the surface of the [3APip]Cl/TS-1 hybrid catalyst under the induction of amino groups in the ionic liquid. Then, these adsorbed CO 2 are activated and transformed into carboxyl intermediate, which can be further converted into CO and CH 4 through photoexcited electrons captured by [3APip]Cl. Based on the results of CO 2 reduction performance, the optimized [3APip]Cl/TS-1 hybrid catalyst achieves a 6-fold increase, and the CO selectivity is 83.0%. This research provides new insights into the CO 2 reduction pathway in mild conditions and emphasizes the importance of the adsorption–activation tandem process for enhancing photoactivity and selectivity.
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JOURNAL OF PHYSICAL CHEMISTRY B
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2024
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IF 2.8
Jing Ma,Yaxuan Du,Meizhe Liu,Yamei Zhou,Xiejun Wang,Baohe Wang,Jing Zhu,Mingxuan Zhu
As a predictive tool, quantum chemical calculations can be used to design protic ionic liquids (PILs) and predict the result. By adding anionic negative potential sites, two dual-functional PILs diethylenetriamine-barbituric acid [C4H14N3]2[C4H2N2O3] and diethylenetriamine-ethylenolactonium [C4H14N3]2[C3H2N2O2] were designed. The simulation results indicated that multisite absorption of anions and cations resulted in an expected absorption ratio exceeding 3:1 (mol CO2:mol ILs). Furthermore, the Gibbs free energy and enthalpy barrier were calculated. Based on this, the two PILs were synthesized in a controlled manner, and the experimental results demonstrated that 0.25 mol/L [C4H14N3]2[C4H2N2O3] and [C4H14N3]2[C3H2N2O2] exhibited a superior CO2 absorption capacity of 3.152 and 3.466 mol CO2/mol ILs, respectively. After five adsorption–desorption experiments, the regeneration rates of [C4H14N3]2[C3H2N2O2] were all higher than 90%. Finally, the reaction mechanism for CO2 capture in these PILs was revealed that the significant increase in capacity could be attributed to the combined absorption of double negative potential N atoms on anions and primary and secondary amines on cations by using 13C NMR.
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JOURNAL OF POLYMERS AND THE ENVIRONMENT
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2024
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IF 4.7
Zhou Yiyang,Meng Qiuyue,Wang Chenxi,Ma Chenyu,Chen Ming,Xu Xinwen,Ding Yunsheng
The lysine p-toluenesulfonic acid ionic liquid ([Lys][p-TSA]), one kinds of amino acid ionic liquids, was synthesized by one-step method, which was employed to control the interfacial structure and degradation behavior of poly(lactide)/poly(butylene adipate- co -terephthalate) (PLA/PBAT) blends. The [Lys][p-TSA] was incorporated into PLA/PBAT blends with different contents by melt blending, and the effect of [Lys][P-TSA] on the interfacial structure, thermal stability, crystallization behavior, rheological behavior and degradation behavior of PLA/PBAT blends were investigated. The SEM results demonstrate that [Lys][p-TSA] could enhance the compatibility between PLA and PBAT in the PLA/PBAT blends. Thermal gravimetric results showed that the incorporation of [Lys][p-TSA] into PLA/PBAT blends could not affect their thermal stability. Differential scanning calorimetry (DSC) measurements showed that [Lys][p-TSA] can improve the crystallinity of PLA, and the rheological behavior of the blends indicated that [Lys][p-TSA] can enhance the chain mobility of PLA and PBAT. More importantly, the degradation behavior of the blends revealed that [Lys][p-TSA] could affect the distribution of lipase in PLA/PBAT blends, so that the relative degradation rate of each component of the blends was well-controlled. As the [Lys][p-TSA] content increased, the degradation rate of the PLA/PBAT blend in phosphate buffered saline (PBS) solution, artificial seawater, porcine pancreas lipase (PPL) solution and Candida antarctica lipase B (CALB) solution was enhanced. When the contents of [Lys][p-TSA] was 4 phr in the PLA/PBAT blend, the weight loss of the blend in PPL enzyme solution reached to 31.59% after 49 days, which was 3.79 times higher than that of PLA/PBAT blend without [Lys][p-TSA]. The enzymatic degradation mechanism of the blends was studied by density functional theory (DFT) and 1 H nuclear magnetic resonance (NMR), and it was found that [Lys][p-TSA] could control the distribution of lipase in the blends, which accelerated the enzymatic degradation of the PLA/PBAT blend. This study could provide some new way on enhancing the properties of PLA/PBAT blends while reducing the harm of microplastics.
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JOURNAL OF ALLOYS AND COMPOUNDS
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2024
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IF 5.8
Weijia Pu,Yuefeng Wu,Yiwei Zhang,Yahui Xiao,Yong Liu
In this paper, ultrafine PdCo nano-alloys confined in crosslinked and carboxyl-functionalized mesoporous poly(ionic liquids) catalysts (PdCo@PVCD) were synthesized for selective oxidation of glycerol into glyceric acid. The structure and physiochemical properties of the catalysts were confirmed by FT-IR, TG , XRD , BET, SEM, TEM-EDS and XPS. The results indicated that the resulting PdCo@PVCD catalyst not only exhibited superior catalytic activity for glycerol oxidation but also higher selectivity to glyceric acid than that of the monometallic Pd@PVCD catalyst, specifically glycerol conversion of 92.8% and glyceric acid selectivity of 63.5% at the optimized reaction conditions. It was confirmed that the excellent performance was attributed to the geometric effect of ultrafine and homogeneous PdCo nano-alloys and also electronic modification of Pd by Co. Moreover, the PdCo@PVCD catalyst had outstanding stability with no activity loss after five reusing times, which was benefited from the strong metal-support interaction and spatial confinement.
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ENERGY
·
2025
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IF 9.4
Huizhe Niu,Ying Lu,Zhe Zhang,Manni Li,Jiaxiang Liu,Fan Qu,Zemin He,Wenqi Song,Yuzhen Zhao,Xiaoqin Liu,Zongcheng Miao
Gel polymer electrolytes (GPEs) are valuable in preparing lithium-ion batteries (LIBs) with high safety, high energy density and high cycle life. However, the liquid component increases the performance of GPEs while decreasing their mechanical strength. For improving the mechanical strength and ionic conductivity of GPEs, one plicated mesoporous silica nanoparticles (PMSN) was prepared and introduced into the poly(ionic liquids) electrolyte to prepare a composite poly(ionic liquids) electrolyte (PIL-GPE@PMSN). PMSN with a high specific surface area could increase its contact area with the polymer electrolyte to form more Li + migration channels. With the introduction of PMSN, the ionic conductivity of PIL-GPE@PMSN is elevated to 1.76 × 10 −3 S cm −1 , and the maximum tensile stress increased to 1.25 MPa. In addition, the good interfacial properties reduce the interfacial impedance between the electrolyte and electrodes, so Li/PIL-GPE@PMSN-5 %/LiFePO 4 batteries exhibit greater discharge capacity and stable cycling performance. Li/PIL-GPE@PMSN-5 %/LiFePO 4 batteries show high capacity of 147 mAh g −1 under current density of 0.5 C, and the capacity retention rate is greater than 94 % after 200 cycles. Moreover, Li/electrolyte/NCM811 batteries with LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NCM811) positive electrode also exhibit ideal rate performance and long cycle charge-discharge performance. The prepared PIL-GPE@PMSN exhibits the potential to improve the safety of high-energy density LIBs.
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CHEMOSPHERE
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2024
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IF 8.1
Wei Zhang,Min Zhang,Jifei Song,Yifei Zhang,Binbin Nian,Yi Hu
To fulfill the requirements of environmental protection, a magnetically recoverable immobilized laccase has been developed for water pollutant treatment. In order to accomplish this objective, we propose a polydopamine-coated magnetic graphene material that addresses the challenges associated with accumulation caused by electrostatic interactions between graphene and enzyme molecules, which can lead to protein denaturation and inactivation. To achieve this, we present a polydopamine-coated magnetic graphene material that binds to the enzyme molecule through flexible spacer arms formed by ionic liquids . The immobilized laccase exhibited a good protective effect on laccase and showed a high stability and recycling ability. Laccase-ILs-PDA-MGO has a wider pH and temperature range and retains about 80% of its initial activity even after incubation at 50 °C for 2 h, which is 2.2 times more active than free laccase. Furthermore, the laccase-ILs-PDA-MGO exhibited a remarkable removal efficiency of 97.0% and 83.9% toward 2,4-DCP and BPA within 12 h at room temperature. More importantly, laccase-ILs-PDA-MGO can be recovered from the effluent and used multiple times for organic pollutant removal, while maintaining a relative removal efficiency of 80.6% for 2,4-DCP and 81.4% for BPA after undergoing seven cycles. In this study, a strategy for laccase immobilization by utilizing ILs spacer arms to modify GO aims to provide valuable insights into the advancement of efficient enzyme immobilization techniques and the practical application of immobilized enzymes in wastewater treatment .
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JOURNAL OF MOLECULAR LIQUIDS
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2025
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IF 5.2
Shanqin Ge,Long Chen,Wei Li,Qingzhao Cai,Genxiang Gong,Junhao Wu,Jinhong Yu,Kazuhito Nishimura,Nan Jiang,Tao Cai
Molecular additives have garnered widespread attention in the fields of lubrication and corrosion protection due to their designable interfacial film-forming efficiency. Herein, three protic ionic liquids (PILs) with the same cation but different anions have been designed and synthesized. Their physicochemical properties, tribological properties and anti-corrosion properties were systematically investigated. Results demonstrated that under dynamic steel-on-steel friction conditions, the PILs can maximally reduce the running-in period, friction coefficient, and wear rate by 90 %, 40 %, and 97 %, respectively, compared to the commercial ionic liquid, BMIMPF 6 . Under static copper corrosion conditions, the PILs efficiently adsorb onto the copper surface and formed a dense oxide layer on its surface, thus achieving excellent corrosion protection for the copper substrates. Molecular dynamics (MD) simulation results indicate that the exceptional lubricity of PILs is due to its ability to rapidly adsorb onto the metal surface through multiple interaction sites on both its anionic and cationic components, thereby reducing the running-in period and swiftly establishing a lubricating film. This study provides insights into the development of molecular additives featuring multiple adsorption sites, with potential applications in the fields of tribology and corrosion engineering.
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