Article
Chemistry, Physical
Suseeladevi Asha, Deepthi Thomas, K. P. Vijayalakshmi, Benny K. George
Summary: The thermal stability and decomposition mechanisms of two pyrrolidinium based ionic liquids were investigated using Py-GC-MS and DFT, revealing different decomposition pathways and comparable activation energy parameters between experimental and computational methods.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Chang-Fei Yu, Shang-Hao Liu, Rui Xia, Ke-Fan Wu
Summary: This study investigates the thermal stability and decomposition characteristics of an imidazole ionic liquid 1-ethyl-3-methylimidazolium bis(trifluor omethylsulfonyl)imide ([Emim][NTf2]). The research combines experimental and theoretical methods to provide insights into the thermal decomposition behavior of ionic liquids.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Review
Engineering, Chemical
Chenqian Xu, Zhenmin Cheng
Summary: Ionic liquids are considered the safest solvents in high-temperature applications due to their non-flammable properties, with thermogravimetric analysis being extensively used for studying their thermal stability. Isoconversional methods are found to be superior to Arrhenius methods in calculating activation energy, and the use of compensation effect and master plots is suggested for pre-exponential factor calculation. The structure of cations has some influence on thermal stability, but anions play a larger role. Developing dicationic ILs can lead to enhanced thermal stability.
Article
Chemistry, Physical
Junshi Zhao, Qi Liang, Ying Chen, Sifan Zhang, Zhitang Song, Sannian Song, Zhongyuan Ma, Liangcai Wu
Summary: The RST phase change material has significantly improved data retention, fast operation speed, high resistance ratio, small density change, low operation voltage, and power consumption, making it a promising material for high performance applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Analytical
Yicong Wang, Shanshan Wang, Leilei Liu
Summary: This study developed and studied diverse ILATPS systems for the extraction of geniposidic acid and aucubin, revealing that the alkyl side chains of ILs contribute to ATPS formation. The performance of potential salts in phase separation was compared, and single-factor experiments were conducted to investigate extraction parameters. Under optimal conditions, high extraction efficiency and partition coefficient were achieved. Additionally, recycling of IL without organic solvents and theoretical references for similar extractions were explored.
MICROCHEMICAL JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
J. Alberto Arroyo-Valdez, Gonzalo Viramontes-Gamboa, Roberto Guerra-Gonzalez, Mariana Ramos-Estrada, Enrique Lima, Jose L. Rivera
Summary: Molecular dynamics simulations show that ionic liquids containing alkylated imidazoles exhibit a bimodal distribution of cation conformations (folded/unfolded), where the concentration of folded cations increases with temperature, reducing liquid cohesivity. At the interface, an outermost layer of cations can tilt towards and cover a layer of adsorbed anions, resulting in stability in transverse directions and instability in the normal direction at temperatures around thermal instability, limiting the rate of vaporization of neutral ion pairs.
Article
Nanoscience & Nanotechnology
Pan-Pan Zhao, Cong Deng, Ze-Yong Zhao, Le Wan, Chi Huang, Yu-Zhong Wang
Summary: Novel phosphorus/nitrogen-containing ionic liquids were synthesized for fire-proofing thermal energy management, significantly reducing extinguishing time and improving thermal enthalpy. These materials showed great potential in construction materials due to their enhanced fire safety and temperature-regulating capabilities.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Green & Sustainable Science & Technology
Jing Bai, Bo Zhang, Bolun Yang, Jianxuan Shang, Zhiqiang Wu
Summary: This study successfully improved the thermal conductivity of phase change materials by synthesizing an ionic liquid and preparing a composite material. The three-dimensional network structure in the graphene/carbon nanotube aerogel improved the dispersion of carbon nanotubes and promoted the uniform penetration of the ionic liquid, resulting in enhanced thermal conductivity of the composite material.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Engineering, Environmental
Xuejie Zhu, Chenyu Wang, Cong Zhang, Ziyu Wang, Jiangshan Feng, Shengzhong (Frank) Liu, Dong Yang
Summary: The stable black alpha-phase is crucial for achieving high-efficiency formamidinium lead triiodide (FAPbI3) perovskite solar cells (PSCs). In this study, 1-allyl-3-methylimidazolium-chloride (AMICl) ionic liquid is used to stabilize the alpha-phase of pure FAPbI(3) perovskite, leading to increased efficiency and environmental stability of the solar cells.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Energy & Fuels
Saeid Faraji, Hemayat Shekaari, Mohammed Taghi Zafarani-Moattar, Masumeh Mokhtarpour, Elnaz Asghari
Summary: Researchers have developed advanced energy storage techniques, such as the latent heat thermal energy storage (TES) method using phase change materials (PCMs), to address the depletion of energy resources and environmental problems. This study presents a new family of PCMs based on ionic liquid (IL) tris(2-hydroxyethylammonium) formate and fatty acids, which offer a safe and inexpensive capacity. The PCMs demonstrate effective latent heat and thermal stability, making them suitable for thermal energy storage applications.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Chemistry, Multidisciplinary
Furong Li, Zhicheng Sun, Shouzheng Jiao, Yutong Ma, Qingqing Zhang, Yang Zhou, Jinyue Wen, YuanYuan Liu
Summary: This study successfully prepared a new type of dual-functional magnetic shielding phase change microcapsules, which can be applied to the field of magnetic shielding through in situ polymerization and screen printing. The addition of different magnetic particles (Fe3O4, CrO2) can significantly improve the phase change latent heat, thermal stability, and thermal conductivity of the microcapsules.
CHEMISTRY-AN ASIAN JOURNAL
(2021)
Article
Materials Science, Ceramics
Fangxian Wang, Juanxuan Guo, Shihao Li, Yuwei Wang, Yang Cai, Zhuo Li, Yongming Shen, Changping Li
Summary: In this study, high-temperature stable, low supercooling, and high energy storage capacity phase change material emulsion (PCME) based on stearic acid (SA) and ionic liquid (IL) was prepared by the self-assembly of MXene nanosheets at the SA/IL interface. The PCME can effectively absorb and convert solar energy into thermal energy, and has excellent optical absorption properties and high photo-thermal conversion efficiencies.
CERAMICS INTERNATIONAL
(2023)
Article
Energy & Fuels
Huixia Yuan, Lulu Dang, Haoru Tang, Binshen Wang, Jingshun Zhang, Tong Lai, Guohua Gao
Summary: A series of bi-functional poly(ionic liquid)s (BF-PILs) were synthesized and used as efficient heterogeneous catalysts for the production of monoethylene glycol (MEG) from ethylene oxide (EO). The phosphonium BF-PILs showed superior catalytic activity and selectivity, and could be swollen in the H2O and MEG mixture.
Article
Physics, Multidisciplinary
Alois Wuerger
Summary: The huge Seebeck coefficients observed recently for ionic conductors are shown to arise from a ratchet effect where activated jumps between neighbor sites are rectified by a temperature gradient, thus driving mobile ions toward the cold. For complex systems with mobile molecules like water or polyethylene glycol, there is an even more efficient diffusiophoretic transport mechanism, proportional to the thermally induced concentration gradient of the molecular component. Without free parameters, the model describes experiments on the ionic liquid EMIM-TFSI and hydrated NaPSS, and qualitatively accounts for polymer electrolyte membranes with Seebeck coefficients of hundreds of k(B)/e.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Hasan Siami, Mohammad Razmkhah, Fatemeh Moosavi
Summary: This study investigates the effect of the functional group of the cation on the absorption of SO2 acidic gas by amino acid ionic liquids (AAILs). The AAIL functionalized by the COOH group is found to be the most thermodynamically favorable green solvent, with the closest distance between the functional group and captured SO2, as well as the highest net charge-transfer amount of SO2.
FRONTIERS IN CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Eapen Thomas, Kunduchi Periya Vijayalakshmi, Benny Kattikkanal George
Article
Chemistry, Multidisciplinary
Eapen Thomas, Deepthi Thomas, Kunduchi Periya Vijayalakshmi, Benny Kattikkanal George
Article
Chemistry, Multidisciplinary
Eapen Thomas, Krishnan G. Rekha, Soundiraraju Bhuvaneswari, Kunduchi P. Vijayalakshmi, Benny K. George
Article
Polymer Science
Eapen Thomas, C. Parvathy, Nisha Balachandran, S. Bhuvaneswari, K. P. Vijayalakshmi, Benny K. George
Article
Chemistry, Physical
Eapen Thomas, K. P. Vijayalakshmi, Benny K. George
JOURNAL OF MOLECULAR LIQUIDS
(2019)
Article
Chemistry, Physical
Rajalaxmi Sahoo, C. Reshma, D. S. Shankar Rao, C. V. Yelamaggad, S. Krishna Prasad
Summary: This study investigates the influence of the flexible spacer parity of a guest photoactive liquid crystalline dimer on the photonic bandgap features of the cholesteric and twist grain boundary smectic C phases of the host molecule. The results show that the parity of the photoactive dimer affects the width of the photonic bandgap and the blue-shift of the cholesteric phase. Additionally, the parity of the dimer also affects the layer spacing and two-dimensional periodicity of the liquid crystalline phases.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Sara Rozas, Alberto Gutierrez, Mert Atilhan, Alfredo Bol, Santiago Aparicio
Summary: This study presents a multiscale theoretical investigation on the use of bifunctional hydrophobic Deep Eutectic Solvent for carbon capture using tetrapropylammonium chloride, acetic acid, and ethanolamine. The characterization includes nanoscale analysis of CO2 absorption mechanisms and changes in liquid phase properties during gas capture.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Tabouli Eric Da-yang, Alhadji Malloum, Jean Jules Fifen, Mama Nsangou, Jeanet Conradie
Summary: In this study, the potential energy of different glycine tautomers and their interaction with Cu2+ cations was investigated. The results showed that the solvation medium and the presence of Cu2+ cations influenced the stability of glycine tautomers.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Xiaoliang Gou, Nan Ye, Qingqing Han, Junjie Cui, Long Yi Jin
Summary: In this study, amphiphilic rod-coil molecules with rigid DSA parts and flexible oligoether chains were designed and their assembly capacities were investigated. The morphology of the molecular aggregates was influenced by the pH of the solution and UV light, and the aggregates showed adsorption capacity for nitroaromatic compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Shuang Liu, Liyan Shan, Cong Qi, Wenhui Zhang, Guannan Li, Bei Wang, Wei Wei
Summary: Optimizing the design of styrene-butadiene-styrene copolymer (SBS) is crucial for producing cost-effective SBS modifiers and improving road quality. This study examined the influence of SBS content and molecular structure on viscosity and compatibility. The results showed that the viscosity contribution of SBS is determined by its molecular structure and phase morphology.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Artem A. Petrov, Ekaterina A. Titova, Aydar A. Akhmadiyarov, Ilnaz T. Rakipov, Boris N. Solomonov
Summary: This work focuses on the thermochemistry of solvation of azeotropes. The enthalpies of dissolution of azeotropes in different mediums were determined, and the impact of the structure of the azeotropes on their properties in solution was discussed. A correlation between enthalpies of solvation and molar refraction was used to determine the vaporization enthalpies of azeotropes for the first time. The results were found to be consistent with literature data, obtained using direct and calculated methods. These findings contribute to the analysis of the structure-property relationships of azeotropes.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
L. V. Kamaeva, E. N. Tsiok, N. M. Chtchelkatchev
Summary: Understanding the correlations between liquids and solids allows us to predict the thermodynamic parameter range favorable for the formation of intriguing solid phases by studying liquids. In this study, we experimentally and theoretically investigated an Al-Cu-Co system within different composition ranges, and identified high-temperature solid phases. Our findings demonstrated the correlation between the boundaries of different solid phases and undercooling and viscosity in the concentration area.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
R. Aneesh Kumar, S. Jamelah Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Nivedita Acharjee, Renjith Thomas, Renjith Raveendran Pillai, T. L. Leena
Summary: In this study, the interactions between doped and pristine coronenes and adenine nucleobases were investigated using Density Functional Theory. The optimal configurations, adsorption energies, charge transfer, and electrical properties of each complex were calculated. It was found that doped coronene had stronger adsorption strength and charge transfer compared to pristine coronene. The stability of the complexes was attributed to non-covalent interactions in the interactive region. The change in electrical conductivity of coronenes after adsorption suggested their sensitivity towards DNA bases. The predicted energy gap and prolonged recovery time for adenine-coronene configurations indicated the potential application of pristine/doped coronene in DNA detection.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Gang Zhou, Yongwei Liu, Biao Sun, Zengxin Liu, Cuicui Xu, Rulin Liu, Qi Zhang, Yongmei Wang
Summary: The CFD-DEM method was used to simulate the dust deposition pattern in the bronchus of anchor digging drivers, revealing the highest dust concentration in the vortex region of the working face. The study also found a positive correlation between dust particle diameter and bronchial deposition rate, and a negative correlation with alveolar deposition rate.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Yan Zhang, Yafei Luo, Lingkai Tang, Mingyan E, Jianping Hu
Summary: This study investigates the effects of different transition metal decorations on B12N12 nanocages on the adsorption properties of nitrosourea drugs using computational methods. The results reveal the presence of weak non-covalent interactions between metals and nanocages, and the interaction between drugs and nanocages plays a significant role in drug adsorption. Compared to free drugs, the adsorption of drugs on nanocages can facilitate electron transfer, reduce energy gaps and chemical hardness, indicating activity at the target site.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
C. I. Alcolado, J. Poblete, L. Garcia-Rio, E. Jimenez, F. J. Poblete
Summary: In this study, the selective oxidation of aromatic aldehydes was investigated using Ru(VI) as a catalyst and hexacyanoferrate (III) as a cooxidant in an alkaline medium. The reaction mechanism involves complex reaction orders for the oxidant and the aromatic aldehyde, while the reaction order for Ru(VI) is one. The proposed mechanism includes two catalytic cycles and the formation and decomposition of complexes. Quantitative structure-activity relationship analysis showed that deactivating groups in the para-position enhance the process.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Inez A. Barbieri, Marcos L. S. Oliveira, Franciele S. Bruckmann, Theodoro R. Salles, Leonardo Zancanaro, Luis F. O. Silva, Guilherme L. Dotto, Eder C. Lima, Mu. Naushad, Cristiano R. Bohn Rhoden
Summary: This study evaluated the adsorption of zolpidem on magnetic graphene oxide and synthesized magnetic graphene oxide adsorbents for zolpidem removal. The best magnetic nanoadsorbent was found to have a removal percentage of 87.07% at specific pH and temperature conditions. The results suggest that the removal of zolpidem is related to the surface chemistry of the adsorbent rather than the surface area of graphene oxide. The adsorbent showed excellent adsorption efficiency and magnetic behavior, making it a promising material for removing zolpidem from aqueous solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Hongyan Huang, Chunquan Li, Siyuan Huang, Yuling Shang
Summary: This study examines the sensitivity of the thermal conductivity of water-based alumina nanofluids to changes in concentration, sphericity, and temperature. The results show that volume fraction and temperature have a significant impact on the thermal conductivity, while sphericity also needs to be considered. A support vector machine regression model was created to analyze the sensitivity of the thermal conductivity to different parameters. The findings indicate that temperature, sphericity, and volume fraction are the most sensitive variables.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Correction
Chemistry, Physical
V. M. Pergamenshchik, T. Bryk, A. Trokhymchuk
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Valentyn Rudenko, Anatolii Tolochko, Svitlana Bugaychuk, Dmytro Zhulai, Gertruda Klimusheva, Galina Yaremchuk, Tatyana Mirnaya, Yuriy Garbovskiy
Summary: This paper reports on the synthesis, structural characterization, spectral and nonlinear-optical properties of glass nanocomposites made of glass forming ionic liquid crystals and nanoparticles. The study reveals that by exciting the nanocomposites within their absorption band, a control over effective optical nonlinearities can be achieved, allowing the modification of the magnitude and sign of the effective nonlinear absorption coefficient. The proposed strategy using metal-alkanoates based glass-forming ionic liquid crystals and nanoparticles shows great potential for the development of nanophotonics and plasmonics technologies.
JOURNAL OF MOLECULAR LIQUIDS
(2024)