Article
Chemistry, Physical
Kun Yue, Guowei Zhou
Summary: Isobaric vapor-liquid equilibrium data for the ternary system of ethyl acetate + ethanol + ILs were obtained at 101.3 kPa. The [MMIM][DMP] and [OMIM][PF6] were found to break the azeotrope of the system at minimum concentrations of 0.048 and 0.141, respectively. [MMIM][DMP] exhibited a monotonic salting-out effect on ethyl acetate, while [OMIM][PF6] showed a crossover effect containing salting-in and salting-out on ethyl acetate.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Thermodynamics
Anne C. Belusso, Silvana Mattedi, Rafael de P Soares, Paula B. Staudt
Summary: Research on ionic liquids has increased significantly in the past decade, but there is still a lack of phase equilibria data for many systems. This study measured the vapor-liquid equilibria for water in four protic ionic liquids using the hygrometric method. The NRTL model parameters were estimated using the VLE data, and the COSMO-SAC model showed semi-quantitative agreement with the experimental values, indicating its potential as an alternative in the absence of experimental information.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2023)
Article
Thermodynamics
Wenxiu Li, Xueying Fan, Hongfan Guo, Xin He, Lida Wang, Tao Zhang
Summary: Three acetate-based ionic liquids were evaluated for their ability to separate an azeotropic mixture of 2-butanone and ethanol, with [N-2,N-2,N-2,N-2][AC] showing the highest separation capacity. The study demonstrated that these ILs had better azeotropic breaking capabilities compared to previously reported ILs. Additionally, the azeotropic point of the binary system was entirely eliminated at specific concentrations of the ILs.
FLUID PHASE EQUILIBRIA
(2022)
Article
Engineering, Chemical
Lianzheng Zhang, Jie Wang, Lin Yang, Dongmei Xu, Yixin Ma, Jun Gao, Yinglong Wang
Summary: Based on the COSMO-SAC model, 1-ethyl-3-methylimidazolium acetate and 1-ethyl-3-methylimidazolium p-toluenesulfonate were selected as entrainers to investigate the separation of isopropyl alcohol and isopropyl acetate azeotrope. Experimental measurements showed that the use of ILs enhanced the relative volatility of the azeotrope and eliminated the azeotropic point. The thermodynamic correlation of the systems containing ILs was explored using the NRTL model, which demonstrated its extensive applicability.
CHINESE JOURNAL OF CHEMICAL ENGINEERING
(2022)
Article
Thermodynamics
Marcela C. Ferreira, Ariel A. C. Toledo Hijo, Fabiane O. Farias, Eduardo A. C. Batista, Guilherme J. Maximo, Antonio J. A. Meirelles
Summary: This study investigates the use of protic FA-based IL as a solvent for deacidification of vegetable oils. The experimental results show that IL has good deacidification efficiency, and the model can well describe the liquid-liquid equilibrium of the system. Therefore, protic FA-based ILs may have potential applicability as alternative solvents for deacidification of crude vegetable oils.
FLUID PHASE EQUILIBRIA
(2022)
Article
Chemistry, Physical
Jan Blasius, Paul Zaby, Juergen Doelz, Barbara Kirchner
Summary: This study investigates the influence of uncertainties in experimental input data on the results of quantum cluster equilibrium calculations. It focuses on the calculation of vaporization enthalpies and entropies of seven organic liquids, compares two computational approaches, and examines the impact of changes in the experimental input data on these properties.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Javid Safarov, Pramod Nachhu, Egon Hassel, Karsten Mueller
Summary: This study reported the density, dynamic viscosity, heat capacity, and speed of sound of 1-ethyl-3-methylimidazolium dicyanamide [EMIM][DCA] at different temperatures and pressures. Experimental data was correlated using an equation of state to calculate various thermophysical properties.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Xinyan Liu, Jingzi Gao, Yuqiu Chen, Yingxue Fu, Yang Lei
Summary: Properties of ionic liquids (ILs) are crucial for their industrial applications, but obtaining their properties through experiments is time-consuming and expensive. Therefore, the development of predictive models for reliably estimating the properties of ILs is essential. In this study, a hybrid model combining the group contribution method with machine learning algorithms is proposed to predict the density and heat capacity of ILs-organic solvent binary systems. The results show that all three machine learning methods provide accurate predictions, with the ANN model exhibiting the best performance. The models not only provide accurate predictions but also establish a data-driven framework for predicting the physicochemical properties of multicomponent mixtures.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Thermodynamics
Yong Luo, Zhuang Liu, Cheng Lu, Xiaopo Wang
Summary: In this study, vapor-liquid equilibrium measurements were conducted for 3,3,3-trifluoropropene (R1243zf) with pentaerythritol tetraheptanoate (PEC7) and pentaerythritol tetranonanoate (PEC9) using the isochoric saturation method. The data were analyzed using the non-random two liquid (NRTL) activity coefficients model. Additionally, the dissolving abilities of different refrigerants in PEC7 and PEC9 were compared and analyzed.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2022)
Article
Thermodynamics
Zian Hao, Guogeng He, Qiqi Tian, Dehua Cai
Summary: In this study, the vapor-liquid phase equilibrium (VLE) data of binary mixtures of R1234ze(E) and R1216 were investigated experimentally and theoretically. The VLE data of the binary system were measured at five temperatures ranging from 275 to 315 K using a recirculation system. The experimental results were correlated with the Peng-Robinson equation of state combined with Huron-Vidal or Wong-Sandler mixing rule and a non-random two-liquid activity coefficient model, as well as the van der Waals mixing rule. The calculated values showed good agreement with the experimental results, with maximum deviations of 0.87% for pressure and 0.016 for mole fraction of the vapor phase. The average absolute deviations between experimental and calculated values were 0.35% for pressure and 0.005 for mole fraction.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2023)
Article
Thermodynamics
Antonio Marcilla, Maria del Mar Olaya, Paloma Carbonell-Hermida, Marta K. Wojtczuk, Hector Rodriguez, Eva Rodil, Ana Soto
Summary: Several physical properties and isobaric vapor-liquid equilibria were measured for a binary system of acetone and the ionic liquid 1-ethyl-3-methyl-imidazolium acetate. Liquid-liquid equilibria data were also measured. The study proposed a new model with a correction term based on the analysis of excess Gibbs energy, which could simultaneously correlate both sets of equilibrium data with high accuracy.
FLUID PHASE EQUILIBRIA
(2022)
Article
Thermodynamics
Jielin Luo, Zeming Wang, Hao Wu, Shaozhi Zhang
Summary: This paper investigates the vapor pressure of the electrolyte in a thermally regenerative ammonia-based battery (TRAB) and applies the common e-NRTL model to describe the vapor-liquid equilibrium property of the solution. The results show that the regeneration temperature of TRAB is primarily influenced by the regeneration pressure and Cu2+ concentration, while NH3 concentration has an insensitive effect. These findings provide a reliable reference for predicting and simulating the working process of TRAB.
CASE STUDIES IN THERMAL ENGINEERING
(2022)
Article
Thermodynamics
Chao Sun, Yajuan Qu, Yasen Dai, Jiafu Xing, Yanli Zhang, Yinglong Wang, Jun Gao
Summary: In the process of polymerizing vinylidene fluoride, difficulty arises in separating isopropyl alcohol (IPA) and dimethyl carbonate (DMC) due to the formation of an azeotrope. This study explores the use of ionic liquids (ILs) as extractants for separating the azeotrope. The theoretical calculations and experimental results confirm the feasibility of using ILs and provide a new approach for separating the DMC-IPA system.
FLUID PHASE EQUILIBRIA
(2024)
Article
Engineering, Chemical
Xiaoshuai Yuan, Chin Feng Ng, Heather Nikolic, Kunlei Liu
Summary: A thermodynamically consistent model is crucial for the research and development of CO2 capture process. Linear Gibbs free energy, enthalpy, and heat capacity relationships can be used to estimate parameters when experimental data is lacking, and to correlate properties of ionic and molecular species.
Article
Chemistry, Physical
Yanrui Li, Qiang Wang, Xiaoping Li, Zhansheng Li, Jing Li, Yanbiao Hu, Bo Wang
Summary: The interaction between N-octyl pyridinium hexafluorophosphate ionic liquid and solvents was evaluated using inverse gas chromatography, and the isothermal vapor-liquid equilibrium data was derived based on the experimental results, which is of great significance for modeling.
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)