Article
Chemistry, Physical
Ruizhuan Wang, Hao Qin, Jingwen Wang, Hongye Cheng, Lifang Chen, Zhiwen Qi
Summary: In this study, the concept of reactive extraction using halogen-free deep eutectic solvent (DES [Im:2PTSA]) as dual solvent-catalyst was proposed to enhance the esterification process for 2-Ethylhexyl acrylate (2-EHA) production. The bifunctional effects of the DES [Im:2PTSA] were evaluated through thermodynamic analysis and experimental study, showing promising results for industrial application. The activity-based pseudo-homogeneous (PH) model considering the bifunctional roles of the DES proved to be more accurate in predicting the esterification kinetics with a small RMSD of 0.0344.
GREEN ENERGY & ENVIRONMENT
(2021)
Article
Chemistry, Physical
Mohammed Abobakr Al-Maari, Hanee F. Hizaddin, Adeeb Hayyan, Mohamed Kamel Hadj-Kali
Summary: Deep eutectic solvents (DESs) have been recognized as eco-friendly alternatives to conventional solvents. However, reliable methods for selecting task-specific DESs are limited. Using COSMO-RS, 126 DESs were screened based on their solubility capacity to estimate their potential use as plant seed oil extractants. The results showed that DESs with higher linoleic acid solubility had lower solubility for protein, and the similarity of DESs to both linoleic acid and protein was compared through sigma-profiles. DESs with high linoleic acid solubility could be used as individual solvents, while DESs with high protein solubility could be used as co-solvents with organic solvents.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Fadhila Rabhi, Thomas Di Pietro, Fabrice Mutelet, Hocine Sifaoui
Summary: The study evaluated the performance of three hydrophobic carboxylic acid based Deep Eutectic Solvents for the extraction of 1-butanol and acetonitrile from aqueous solutions. It was found that DL-menthol based DESs are suitable for this type of extraction. NRTL and UNIQUAC models provided a good representation of the phase diagrams measured in the study, while COSMO-RS accurately predicted phase diagrams of systems containing DL-menthol based Deep Eutectic Solvents.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Chen Fan, Yuhang Shan, Lijiao Wen, Xueli Cao
Summary: This study designed new eutectic systems using natural deep eutectic solvent (NADES) for the extraction of artemisinin. The performance of benzoic acid/fenchyl alcohol-based NADES was comprehensively studied under different conditions. It was found that the best extraction result was achieved with HBD/HBA molar ratio of 1:4, at 50°C, and within 1.5 hours, with an extraction yield of 11.08 mg/g. The extraction mechanism was elucidated through 1H nuclear magnetic resonance (1H NMR) and scanning electron microscopy (SEM). The proposed NADES proved to be a green solvent for effective extraction of natural bioactive compounds.
SUSTAINABLE CHEMISTRY AND PHARMACY
(2023)
Article
Chemistry, Physical
Chencong Ruan, Fan Mo, Hao Qin, Hongye Cheng, Lifang Chen, Zhiwen Qi
Summary: Imidazole and benzenesulfonic acid based deep eutectic solvents were utilized as acidic catalyst and solvent for the efficient dehydration of fructose to 5-hydroxymethylfurfural. The bifunctionality of [Im:1.5BSA] in promoting reaction rates and catalytic activity was identified through tuned acidity of DESs and hydrogen bond interaction.
Article
Chemistry, Applied
Sile He, Kyung Ho Row, Weiyang Tang
Summary: Essential oils, as complex mixtures of volatile compounds, play a crucial role in improving product quality in various industries. This study proposes an in situ isolation technique using deep eutectic solvents (DESs) for the removal of impurities in essential oils. The deterpenation performance was predicted using COSMO-RS and DFT methods, and important characteristics of relevant compounds were obtained. Tetrabutylammonium chloride (TBAC) was chosen to extract hydroxy-terpenoids based on theoretical analysis and experimental results, and a re-extraction procedure yielded TBAC and terpenoids with a recovery rate of 81.8-84.4%.
Article
Chemistry, Applied
Zilong Shen, Lifang Chen, Hongye Cheng, Zhiwen Qi
Summary: In this work, a boric acid-based deep eutectic solvent (DES) was successfully employed to intensify the synthesis of glyceryl monolaurate (GML). The DES formed by equimolar TPAB and boric acid exhibited the lowest freezing point and good thermal stability, promoting the selective esterification process. Under optimal conditions, the GML selectivity reached 85.7% and the yield was 76.4%.
Article
Chemistry, Physical
Mingyao Wu, Hongye Cheng, Lifang Chen, Zhiwen Qi
Summary: The separation of terpenoids from terpenes in citrus essential oils is essential for practical applications. This study evaluated the performance of 19 deep eutectic solvents in extractive deterpenation of model CEOs, with promising results from one particular DES TBAC:1,3BD(1:2).
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Kiki Adi Kurnia, Megawati Zunita, Joao A. P. Coutinho, I. Gede Wenten, Djoko Santoso
Summary: Transport properties, such as viscosity, play a crucial role in selecting and designing processes for CO2 capture and separation using deep eutectic solvents (DES). This study aimed to develop a computational method using interaction energy descriptors to predict the viscosity of DES. The model showed a good correlation between experimental and predicted values, providing an effective tool to predict the viscosity of DES and offering insights into the molecular level interactions governing this property.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Zexian Qin, Hongye Cheng, Zhen Song, Lijun Ji, Lifang Chen, Zhiwen Qi
Summary: Lemon essential oil deterpenation was conducted using deep eutectic solvents (DESs). The performance of 77 DESs was evaluated and a DES composed of tetrabutylammonium bromide and levulinic acid was selected as a promising solvent for downstream processing of natural lemon essential oil.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Review
Chemistry, Physical
Yanrong Liu, Zhengxing Dai, Zhibo Zhang, Shaojuan Zeng, Fangfang Li, Xiangping Zhang, Yi Nie, Lei Zhang, Suojiang Zhang, Xiaoyan Ji
Summary: This study comprehensively collected and summarized the solubilities of CO2 in physical- and chemical-based ILs/DESs, as well as the COSMO-RS models predicting these properties. Chemical-based ILs/DESs were found to be more effective for CO2 capture, especially those with functionalized cations and anions, and superbase DESs.
GREEN ENERGY & ENVIRONMENT
(2021)
Article
Engineering, Chemical
Hongye Cheng, Zhiwen Qi
Summary: DESs are low-freezing mixtures formed by HBD and HBA, meeting specific separation requirements for different systems. This review discusses the applications of DESs in hard-to-separate liquid systems, separation mechanisms, DES recycling methods, and prospects for future research trends.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Chemistry, Applied
Chen Fan, Yang Liu, Yuhang Shan, Xueli Cao
Summary: This study utilized natural deep eutectic solvent for lutein recovery from Scenedesmus sp, showing improved yield and stability under specific conditions compared to conventional methods using organic solvents.
Article
Chemistry, Applied
Ke Li, Jin Hyun Nam, Seulgi Kang, Yuli Liu, Jeongmi Lee
Summary: This study explores the use of carvone mixtures, natural monoterpenoids, as solvents in extraction processes. These mixtures have low viscosity, reasonable biodegradability, and can be substitutes for polar protic and dipolar aprotic solvents. Carvone mixtures were successfully applied to extract valuable pigments from a red algae known as laver.
Article
Chemistry, Physical
Chunrong Li, Xinyan Liu, Haodong Ke, Hairong Wang, Jikun Xu, Chuntao Zhang
Summary: This study investigated the solubility of clozapine (CLZ) in different aqueous choline chloride (ChCl) based deep eutectic solvents (DESs) and found that the DESs can greatly enhance the solubility of CLZ. The solubility of CLZ in aqueous DESs solutions varied with the composition of the DESs, and the NRTL model provided the best correlation. The solubility behavior of CLZ and solvent molecules was analyzed based on molecular interactions, and the dissolution process of CLZ in aqueous DES solutions was determined to be endothermic and entropy-driven.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Engineering, Environmental
Xinping Zhang, Yuxin Guo, Xiaoyang Liu, Shun-Yu Wu, Ya-Xuan Zhu, Shao-Zhe Wang, Qiu-Yi Duan, Ke-Fei Xu, Zi-Heng Li, Xiao-Yu Zhu, Guang-Yu Pan, Fu-Gen Wu
Summary: This study develops a nanotrigger HCFT for simultaneous photodynamic therapy and light-triggered ferroptosis therapy. The nanotrigger can relieve tumor hypoxia, induce enhanced photodynamic reaction, and facilitate the continuation of Fenton reaction, ultimately leading to lethal ferroptosis in tumor cells.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Olumide Bolarinwa Ayodele, Toyin Daniel Shittu, Olayinka S. Togunwa, Dan Yu, Zhen-Yu Tian
Summary: This study focused on the semihydrogenation of acetylene in an ethylene-rich stream using two alloyed Pt catalysts PtCu and PtCo. The PtCu catalyst showed higher activity and ethylene yield compared to PtCo due to its higher unoccupied Pt d-orbital density. This indicates that alloying Pt with Cu is more promising for industrial relevant SHA catalyst.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Guowei Chen, Wen-Cheng Chen, Yaozu Su, Ruicheng Wang, Jia-Ming Jin, Hui Liang, Bingxue Tan, Dehua Hu, Shaomin Ji, Hao-Li Zhang, Yanping Huo, Yuguang Ma
Summary: This study proposes an intramolecular dual-locking design for organic luminescent materials, achieving high luminescence efficiency and performance for deep-blue organic light-emitting diodes. The material also exhibits unique mechanochromic luminescence behavior and strong fatigue resistance.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Joren van Stee, Gregory Hermans, Jinu Joseph John, Koen Binnemans, Tom Van Gerven
Summary: This work presents a continuous solvent extraction method for the separation of cobalt and nickel in a millifluidic system using Cyphos IL 101 (C101) as the extractant. The optimal conditions for extraction performance and solvent properties were determined by investigating the effects of channel length, flow rate, and temperature. The performance of a developed manifold structure was compared to a single-channel system, and excellent separation results were achieved. The continuous separation process using the manifold structure resulted in high purity cobalt and nickel products.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Yan Xu, Jingai Jiang, Xinyi Lv, Hui Li, Dongliang Yang, Wenjun Wang, Yanling Hu, Longcai Liu, Xiaochen Dong, Yu Cai
Summary: A programmed gas release nanoparticle was developed to address the challenges in treating diabetic infected wounds. It effectively removes drug-resistant pathogens and remodels the wound microenvironment using NO and H2S. The nanoparticle can eliminate bacteria and promote wound healing through antibacterial and anti-inflammatory effects.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Tong Xia, Zhilin Xi, Lianquan Suo, Chen Wang
Summary: This study investigated a highly efficient coal dust suppressant with low initial viscosity and high adhesion-solidification properties. The results demonstrated that the dust suppressant formed a network of multiple hydrogen bonding cross-linking and achieved effective adhesion and solidification of coal dust through various chemical reactions.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Jinzhi Cai, Zhenshan Li
Summary: A density functional theory-based rate equation was developed to predict the gas-solid reaction kinetics of CaO carbonation with CO2 in calcium looping. The negative activation energy of CaO carbonation close to equilibrium was accurately predicted through experimental validation.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Jianxiong Chen, Fuhao Ren, Ningning Yin, Jie Mao
Summary: This study presents an economically efficient and easily implementable surface modification approach to enhance the high-temperature electrical insulation and energy storage performance of polymer dielectrics. The self-assembly of high-insulation-performance boron nitride nanosheets (BNNS) on the film surface through electrostatic interactions effectively impedes charge injection from electrodes while promoting charge dissipation and heat transfer.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Zijian Li, Zhaohui Yang, Shao Wang, Hongxia Luo, Zhimin Xue, Zhenghui Liu, Tiancheng Mu
Summary: This study reports a strategy for upgrading polyester plastics into value-added chemicals using electrocatalytic methods. By inducing the targeted transfer of *OH species, polyethylene terephthalate was successfully upgraded into potassium diformate with high purity. This work not only develops an excellent electrocatalyst, but also provides guidance for the design of medium entropy metal oxides.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Navneet Singh Shekhawat, Surendra Kumar Patra, Ashok Kumar Patra, Bamaprasad Bag
Summary: This study primarily focuses on developing a sulphur dyeing process at room temperature using bacterial Lysate, which is environmentally friendly, energy and cost effective, and sustainable. The process shows promising improvements in dye uptake and fastness properties.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Dengjia Shen, Hongyang Ma, Madani Khan, Benjamin S. Hsiao
Summary: This study developed cationic PVC nanofibrous membranes with high filtration and adsorption capability for the removal of bacteria and hexavalent chromium ions from wastewater. The membranes demonstrated remarkable performance in terms of filtration efficiency and maximum adsorption capacity. Additionally, modified nanofibrous membranes were produced using recycled materials and showed excellent retention rates in dynamic adsorption processes.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Xiaoyan Wang, Zhikun Wang, Ben Jia, Chunling Li, Shuangqing Sun, Songqing Hu
Summary: Inspired by photosystem II, self-supported Fe-doped NiCoP nanowire arrays modified with carboxylate were constructed to boost industrial-level overall water splitting by employing the concerted proton-coupled electron transfer mechanism. The introduction of Fe and carboxyl ligand led to improved catalytic activity for HER and OER, and NCFCP@NF exhibited long-term durability for overall water splitting.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Pengyao Yu, Ge Yang, Yongming Chai, Lubomira Tosheva, Chunzheng Wang, Heqing Jiang, Chenguang Liu, Hailing Guo
Summary: Thin LTA zeolite membranes were prepared through secondary growth of nano LTA seeds in a highly reactive gel, resulting in membranes with superior permeability and selectivity in gas separation applications.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Baiqin Zhou, Huiping Li, Ziyu Wang, Hui Huang, Yujun Wang, Ruichun Yang, Ranran Huo, Xiaoyan Xu, Ting Zhou, Xiaochen Dong
Summary: The use of machine learning to predict the performance of specific adsorbents in phosphate adsorption shows great promise in saving time and revealing underlying mechanisms. However, the small size of the dataset and insufficient detailed information limits the model training process and the accuracy of results. To address this, the study employs a fuzzing strategy that replaces detailed numeric information with descriptive text messages on the physiochemical properties of adsorbents. This strategy allows the recovery of discarded samples with limited information, leading to accurate prediction of adsorption amount, capacity, and kinetics. The study also finds that phosphate uptake by adsorbents is generally through physisorption, with some involvement of chemisorption. The framework established in this study provides a practical approach for quickly predicting phosphate adsorption performance in urgent scenarios, using easily accessible information.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Paula Alejandra Lamprea Pineda, Joren Bruneel, Kristof Demeestere, Lisa Deraedt, Tex Goetschalckx, Herman Van Langenhove, Christophe Walgraeve
Summary: This study evaluates the use of four esterified fatty acids and three vegetable oils as absorption liquids for hydrophobic VOCs. The experimental results show that isopropyl myristate is the most efficient liquid for absorbing the target VOCs.
CHEMICAL ENGINEERING JOURNAL
(2024)