Article
Chemistry, Physical
Xiucan Jia, Yutian Ma, Xiaopo Wang
Summary: In this study, the vapor-liquid equilibrium of 3, 3, 3-Trifluoropropene (R1243zf) with [Emim][BF4] and [Bmim][BF4] ionic liquids was measured, and the experimental results were correlated using the NRTL model. The effects of different anions and cations on the liquid phase molar fraction of R1243zf were studied. In addition, thermodynamic properties and phase behavior of different HFO refrigerants with [Emim][BF4] were compared and analyzed.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Multidisciplinary
Shiyu Nie, Fengfeng Chen, Tianbo Shen, Tingting Wang, Ningyu Di, Junkuo Gao
Summary: Adjusting the internal porous environment of MOFs to enhance their adsorption properties is considered an effective strategy to improve their gas separation performance. In this study, UiO-66 was encapsulated with 1-ethyl-3-methyl-imidazolium acetate ([Emim][Ac]) to improve CO2 capture performance. The [Emim][Ac]@UiO-66 exhibited higher CO2 adsorption capacity and selectivity compared to the original UiO-66, indicating its potential as an efficient absorbent for gas separations.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Xiucan Jia, Yong Luo, Xiaopo Wang
Summary: This study measured the solubility of HFO1243zf in [HMIM][PF6] and [OMIM][PF6], and correlated the experimental data using appropriate models. The mixing thermodynamic properties of R1243zf + [HMIM][PF6] and R1243zf + [OMIM][PF6] solutions were computed, and the dissolving performances of different HFOs were compared and analyzed.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Materials Science, Multidisciplinary
Mehmet Ali Topcu, Aydin Rusen, Volkan Kalem, Ozkan Kucuk
Summary: This study aimed to achieve gold leaching from copper anode slime (CAS) using ionic liquid treatment. A novel medium, 1-butyl-3-methyl-imidazolium chloride (BmimCl), was used as the leaching reagent. The effects of various parameters on the leaching efficiency were investigated and optimized. The results showed that a gold leaching efficiency of 61.20% was achieved under the optimal conditions. The statistical analysis revealed that temperature had the greatest impact on gold leaching, followed by time, solid/liquid ratio, and ionic liquid concentration.
Article
Chemistry, Physical
Sweta Jha, Praveenkumar Sappidi
Summary: The results presented in this study contribute to the understanding of the complex interactions between furfural-based compounds and ILs, as well as the challenges in separating 5-HMF from ILs.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Xiucan Jia, Wenbo Dou, Xiaopo Wang
Summary: This study experimentally determined the solubilities of R1243zf in [BMIM][TFO] and [BMIM][PF6] and correlated the experimental data using two models. The dissolution thermodynamic properties and Henry's law constants of R1243zf in the two ILs were calculated, and the absorption capacities were compared.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Vijay Padwal, Aditya Narvekar, Shailesh Dugam, Radhika Pachpore, Prajakta Dandekar, Ratnesh Jain
Summary: Evaluating the stability and biological activity of monoclonal antibodies is crucial for their optimal performance. pH buffers, surfactants, salts, and sugars are commonly used to control aggregation of antibodies. In this study, 2-MIDHP was found to be a potent acid-resistant agent that effectively prevented aggregation of Bevacizumab.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Multidisciplinary
Yuval Simha, Gil Daniels, Amalya Goldman, Elihay Kuniavsky, Dmitry Tsvelikhovsky
Summary: A new strategy for direct access to fully substituted polycyclic imidazolium salts using alpha-enaminones and proline as the reagents is reported. This open-flask operation is a catalyst-, metal-, and Lewis acid-free green process, which does not require an ion-exchange step. It can produce good yields with minimal formation of side products, and is not limited to aryl substituents.
Article
Chemistry, Physical
Ruhao Li, Yi Feng, Pinar Akcora
Summary: This study investigates the mixtures of low polymer concentration IL-polymer electrolytes to improve their conductivity. The ion transport properties of three types of imidazolium-based ionic liquids are examined with the addition of linear poly(methyl methacrylate) (PMMA) homopolymer. The dielectric properties of PMMA/IL mixtures indicate the enhancement of ILs' apparent ionicity, attributed to preferential interactions between PMMA and TFSI- anions. The frequency-dependent conductivity data suggest that ion-dipole coupling interactions between PMMA and IL enhance solvation and increase ionicity by disrupting the cage structure and facilitating fast ion motion of IL.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Crystallography
Fei Yang, Zongwei Wang, Pengju Liu, Libing Guo, Dong Xian
Summary: The compound C14H20CdCl2N4O4 has a monoclinic crystal structure with lattice parameters of a = 8.261(3) angstrom, b = 16.390(5) angstrom, c = 13.967(4) angstrom, and β = 95.850(4) degrees at 296 K. The volume is 1881.3(10) angstrom(3) with space group P2(1)/n.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES
(2021)
Article
Thermodynamics
Hugo Valenca de Araujo, Luiz Henrique Parolin Massuchetto, Raiza Barcelos Correa do Nascimento, Stella Maia Rocha de Carvalho, Jose Vicente Hallak Dangelo
Summary: This study analyzed the thermodynamic performance of a single-effect ARS using two different ionic liquids as absorbents, and found that the H2O/[EMIM][EtSO4] mixture showed similar performance to the conventional H2O/LiBr in certain conditions, especially in terms of avoiding LiBr crystallization risk.
APPLIED THERMAL ENGINEERING
(2022)
Article
Engineering, Environmental
Gangqiang Yu, Ruinian Xu, Bin Wu, Ning Liu, Biaohua Chen, Chengna Dai, Yu Kuang, Zhigang Lei
Summary: The study found that [EMIM][BF4] is the most promising drying agent due to its low Henry's law constant and high diffusion coefficient of H2O. By quantum chemistry calculations and molecular dynamics simulations, the microscopic mechanism was revealed, showing that [EMIM][BF4] has the strongest hydrogen bond interactions with H2O at the molecular level.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Physical
Bela Urban, Gabor Szalontai, Mate Papp, Csaba Feher, Attila C. Benyei, Rita Skoda-Foldes
Summary: Numerous organic reactions catalyzed by the ionic liquid product of chlorosulfonation of 1-methylimidazole have been reported recently. Controversial assumptions on the real structure of the catalyst have emerged, but it has now been confirmed to be 1-methylimidazolium chlorosulfate. This structure was verified through X-ray crystallography and NMR spectroscopy, with experiments supporting rapid hydrolysis in the presence of water traces.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Qingqin Sun, Xu Fu, Peiru Wang, Kunlan Li, Ligang Wei, Shangru Zhai, Qingda An
Summary: The oxidative depolymerization of alkali lignin (AL) was catalyzed by copper-containing imidazolium-based ionic liquids ([C4C1im]CuCl3) in CH3OH-H2O solvent. [C4C1im]CuCl3 showed remarkable catalytic capacity due to the cooperative effects of [C4C1im]+ and CuCl3. The molar concentration of [C4C1im]CuCl3 greatly influenced AL conversion and product selectivity. The molecular interactions and microenvironment of [C4C1im]CuCl3-solvent system were investigated and the optimal catalytic capacity was obtained at a specific molar concentration of [C4C1im]CuCl3.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Mwadham M. Kabanda, Indra Bahadur
Summary: A theoretical study investigated the solute-solvent interactions between 1-ethyl-3methyl-imidazolium ([EMIM]+) dicyanamide ([DCA]-) ionic liquid (IL) and traditional molecular solvents (water, methanol, and chloroform). The study revealed strong interactions between the IL and co-solvents at nearly all possible interaction sites, with polar solvents showing stronger interactions compared to nonpolar solvents.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Electrochemistry
Yang Yang, Changqing Dai, Dengfeng Wu, Zhiping Liu, Daojian Cheng
Article
Engineering, Chemical
Xiaochun Zhang, Kun Jiang, Zhiping Liu, Xiaoqian Yao, Xiaomin Liu, Shaojuan Zeng, Kun Dong, Suojiang Zhang
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2019)
Article
Engineering, Chemical
Xian Wang, Zhenjiang Guo, Zhiping Liu, Xianren Zhang
Article
Engineering, Chemical
Jingjing Sun, Zhiping Liu, Dapeng Cao
CHEMICAL ENGINEERING SCIENCE
(2019)
Article
Nanoscience & Nanotechnology
Xun Wu, Naiwei Gao, Xiaoting Zheng, Xinglei Tao, Yonglin He, Zhiping Liu, Yapei Wang
ACS APPLIED MATERIALS & INTERFACES
(2020)
Article
Engineering, Chemical
Fang Chen, Long Zhang, Zhiping Liu, Guangren Yu
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2020)
Article
Chemistry, Multidisciplinary
Shitao Wang, Ling Da, Jinsong Hao, Jin Li, Mao Wang, Yan Huang, Zexu Li, Zhiping Liu, Dapeng Cao
Summary: A fully conjugated 3D COF with high electron mobility was synthesized, demonstrating a band-like transport mechanism different from common organic materials. The findings suggest that fully conjugated 3D COFs could provide new pathways for electron delocalization and charge transport, potentially revolutionizing the design of organic semiconducting materials.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Fang Chen, Zhiping Liu, Guangren Yu
Summary: This study investigated the behavior and distribution of water molecules in different types of ionic liquids (ILs) using molecular dynamics simulations. It was found that water molecules tend to aggregate in hydrophobic ILs, while the introduction of a hydrophilic anion significantly influences water aggregation. The results provide valuable information for understanding the mechanism of water aggregation in mixed ILs and offer a simple strategy to tune the properties of ILs and improve their performance in electrical double layer capacitors (EDLCs).
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Minghui Xing, Huibing Liu, Xiaobin Dong, Ziheng Liang, Shiqing Huang, Xin Ding, Liu Yang, Zhiping Liu, Shitao Wang, Dapeng Cao
Summary: Developing non-precious metal catalysts to replace commercial Pt for the hydrogen evolution reaction (HER) is important for practical water splitting applications. In this study, a composite CoP/Ni2P@Co(OH)2 catalyst was synthesized and it exhibited excellent HER catalytic performance in both alkaline and acidic media due to the synergistic effects between CoP/Ni2P and Co(OH)2. Co(OH)2 was found to effectively promote water dissociation in alkaline media, while CoP/Ni2P served as active sites for hydrogen adsorption and desorption.
MATERIALS TODAY ENERGY
(2022)
Article
Engineering, Chemical
Jinhui Han, Xiaohua Yang, Zhiping Liu
Summary: The fluorinated carboxylic acid esters, especially 2,2,2-trifluoroethylbutyrate (TFEB), have been found to be effective additives for improving the performance of lithium-ion batteries, particularly at low temperatures. In this study, molecular dynamics simulations were used to investigate the mechanisms by which TFEB influences the solvation structure of lithium ions in a typical commercial electrolyte. The results showed that although TFEB is present in small quantities, it significantly modifies the solvation structure and facilitates the participation of anions in the solvation shell.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Chemistry, Physical
Xiaohua Yang, Xiangyang Liu, Jinhui Han, Zhiping Liu, Xianren Zhang
Summary: In this study, quantum chemical calculations were used to evaluate carbonates with different fluorinated patterns to meet the requirements of antioxidation, stabilize SEI films, and modify solvation structures. The results showed that both the quantity and position of fluorine substitutions have a significant impact on the oxidation and reduction potentials. It was also found that fluorination weakens the coordination ability of carbonates, which is beneficial for the construction of a good SEI.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Engineering, Chemical
Peng Xu, Xiaochun Zhang, Linlin Zhao, Zhenlei Wang, Yawei Liu, Lu Bai, Zhiping Liu
Summary: MXene-based membranes with an ultrathin layer of ionic liquid show enhanced gas separation performance, with the thickness of the ionic liquid film affecting the selectivity. The MXene-slit width has less influence on gas permeance but affects the CO2/N2 selectivity. A composite membrane composed of MXene with an 8 angstrom slit and 40 pairs of ionic liquid exhibits the best CO2/N2 separation performance.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Nanoscience & Nanotechnology
Minghui Xing, Zelong Qiao, Ziqiang Niu, Shitao Wang, Zhiping Liu, Dapeng Cao
Summary: This study synthesizes the NiTe/Ni2P heterostructure and demonstrates the strain engineering of NiTe/Ni2P through the lattice incompatibility between the phosphide and the telluride. The strain engineering significantly enhances the oxygen evolution reaction (OER) activity and stabilizes the catalyst's intrinsic structure. Notably, a voltage-dependent phase transition appears during the OER, which is different from most previously reported Ni-based catalysts. Density functional theory calculations reveal that the tensile strain of Ni2P inhibits the irreversible phase transitions of Ni(2)P into NiOOH. Overall, this work presents a new approach for designing high-performance OER catalysts using strain nanotechnology.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Xiaohua Yang, Xiangyang Liu, Jinhui Han, Zhiping Liu, Xianren Zhang
Summary: Designing solvents or additives with high oxidation stability and good solid-electrolyte interphase (SEI) is crucial for lithium secondary batteries.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Multidisciplinary
Xinli Gao, Song Hong, Zhiping Liu, Tongtao Yue, Jure Dobnikar, Xianren Zhang
