Article
Engineering, Chemical
Li-Chi Hung, Nai-Hsin Pan
Summary: This study investigates the thermal behavior of the ionic liquid [EMIM][Tf2N] and reveals its reactivity hazard at high temperatures, providing valuable thermal safety data for sustainable construction applications. The study also considers the impact of different storage containers on thermal safety.
Article
Materials Science, Multidisciplinary
Fabien Krebs, Oliver Hoefft, Frank Endres
Summary: The interface between ionic liquids (ILs) and metals, particularly in electrochemical deposition and nanoscale tribology applications, was studied. The interaction between [Py-1,Py-4]TFSI and [EMIm]TFSI ILs and platinum was found to be minimal, while strong interaction with the surface was observed in the case of [EMIm]TFSI. On the other hand, massive decomposition of both ILs occurred on the aluminum surface. The spectra revealed cleavage of C-F or N-S bonds in the [TFSI](-) anion and the appearance of various decomposition products at the interface.
Article
Chemistry, Physical
Kana Ishisone, Guido Ori, Mauro Boero
Summary: This study provides a detailed insight into the structural and electronic interactions in the ionic liquid targeted for low-power electronics and optoelectronic devices. Through first principles dynamical simulations and long-lasting dynamical simulations, the nature of bonding and non-bonding interactions, conformational changes, induced dipole moments, and the mobilities of the ionic species are revealed. Additionally, the analysis of the electronic structure and charge distributions helps to understand the electrostatic interactions, hydrogen bonding properties, and the infra-red and dielectric response of the system.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Thermodynamics
Jan Pavlicek, Grozdana Bogdanic, Ivan Wichterle
Summary: In this study, vapor-liquid equilibrium data near azeotropic points of the title system were measured at different temperatures. A newly-developed method based on relatively small amounts of input data was used to process the data, providing a thermodynamic description of azeotropic behavior.
FLUID PHASE EQUILIBRIA
(2022)
Article
Chemistry, Physical
Yuxin Jiang, Xinyuan Zhang, Xianzhen Xu, Shida Gong, Zonghua Wang, Yu Zhou
Summary: Studies have shown that mixing two or more ionic liquids (IL) to form IL mixtures has become a new research hotspot for designing ILs with desirable properties. However, there have been fewer fundamental studies on the interactions and mixing behaviors of IL mixtures. In this work, two ILs containing the same cation [EMIM]+ were used to prepare IL mixtures, and their mixing behavior was investigated through experimental methods and quantum chemical calculations. The main conclusions are: (1) DMSO forms stronger hydrogen bonds with EMIMTFSI than with EMIMBF4. (2) The addition of EMIMBF4 weakens the hydrogen bonding interactions in the EMIMTFSI-EMIMBF4 system and strengthens the coulombic interactions. (3) With dilution, the C2-H bond experiences the smallest changes, suggesting that it remains the main interaction site. (4) New formation complexes between EMIMBF4 and EMIMTFSI were confirmed through excess infrared spectra.
Article
Energy & Fuels
Yifeng Chen, Shuailong Song, Ning Li, Jian Wu, Xiaohua Lu, Xiaoyan Ji
Summary: The development of a novel absorbent for CO2 separation technology was investigated in this study. The experimental results showed that the developed technology had a significantly higher CO2 mass-transfer rate and lower cost compared to current commercialized technology. The absorption ability index successfully predicted the performance of CO2 separation technologies.
Article
Thermodynamics
Rui-Jie Xu, Shang-Hao Liu, Ke-Fan Wu, Chang-Fei Yu
Summary: Coal spontaneous combustion endangers the safety of the coal industry and results in the emission of a large amount of carbon dioxide, which poses a threat to the ecological environment. This study demonstrates that ionic liquid can be used as a flame retardant to inhibit the spontaneous combustion of coal.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2023)
Article
Thermodynamics
Dorota Warminska, Iwona Cichowska-Kopczynska
Summary: This work investigates the physicochemical properties of three binary mixtures containing ionic liquids mixed with 2-propanol. The effects of temperature, cation, and anion on properties such as density, speed of sound, refractive index, and viscosity were analyzed. Excess properties were calculated and correlated with composition data using the Redlich-Kister polynomial equation.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2022)
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)
Article
Engineering, Chemical
Yifeng Chen, Hang Yu, Jingjing Chen, Xiaohua Lu, Xiaoyan Ji
Summary: In this study, the viscous behaviors of slurry, [Hmim][NTf2]/TiO2-PEG200, were experimentally determined. The slurry exhibited shear-thinning behavior and high temperature and low solid content were found to reduce its viscosity. The presence of [Hmim][NTf2] effectively reduced the viscosity of the slurry. Additionally, increasing temperature reduced the pressure drop of the slurry with a solid content of 8.0% (mass) by 28.0% when it increased from 313 to 333 K.
CHINESE JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Thermodynamics
Xinmiao Liang, Huichun Jiang, Xuhai Pan, Min Hua, Juncheng Jiang
Summary: This study optimized the properties of NC as a propellant binder by introducing [Bmim][NTf2] as an additive, resulting in NC-NTf(2) with low onset decomposition temperature, low activation energy, and high energy release rate. The thermal degradation processes and essential thermodynamic parameters of NC-P, NC-NTf2, and NC-NTf2-eth were investigated to evaluate the overall performance of NC as a propellant binder.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2021)
Article
Chemistry, Physical
Piotr Wrobel, Piotr Kubisiak, Andrzej Eilmes
Summary: Simulations of EMIM-TFSI ionic liquid and water mixtures using ab initio molecular dynamics revealed that hydrogen bonds between EMIM cations and TFSI anions are replaced by water molecules with increasing water content. Furthermore, the total number of bonds formed by TFSI acceptors increased in the liquid mixture.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Chemistry, Physical
Hong Chen, Zonghua Wang, Xianzhen Xu, Shida Gong, Zhiwu Yu, Yu Zhou
Summary: This study investigated the hydrogen bonding interactions between ether-functionalized IL and co-solvents at different concentrations using FTIR, excess infrared spectroscopy, and quantum chemical calculations. It was found that the strength of hydrogen bonds increased during dilution with co-solvents, with the EOMIMTFSI-DMSO system exhibiting the strongest interactions. The main interaction sites and types varied among the studied systems, providing insights into the microscopic properties of ether-functionalized ILs.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Thermodynamics
P. V. S. S. Rama Rao, T. S. Krishna, Ponnuri Bharath, Ranjan Dey, D. Ramachandran
Summary: This study examines the properties of binary blends of 1-butyl-3-methylimidazolium bis(trifluromethylsulfonyl)imide ionic liquid with Ethyl acetate at various temperatures, discussing molecular interactions and temperature effects through excess properties. The results are adequately fitted with the Redlich-Kister polynomial equation, providing insight into molecular interactions and temperature effects.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2021)
Article
Chemistry, Physical
Aritri Biswas, Bhabani S. Mallik
Summary: We investigate the interaction and dynamics of ion-probe within a molecular liquid and interpret the vibrational spectral dynamics of mixtures of ionic liquid with probes of varying alkyl chain length. Structural analysis shows pronounced interactions of the oxygen atom with the corresponding anionic oxygen site. Our computed frequency distribution exhibits similarity with the experimental linear FT-IR spectrum. The rotational anisotropy results reflect the hydrogen bond length-scale fluctuations and collective reorientation associated with the complete structural reorganization of the probe modes.
Article
Chemistry, Analytical
Rosa A. S. Couto, Bassim Mounssef Jr, Felix Carvalho, Cecilia M. P. Rodrigues, Ataualpa A. C. Braga, Leigh Aldous, Luis Moreira Goncalves, M. Beatriz Quinaz
SENSORS AND ACTUATORS B-CHEMICAL
(2020)
Article
Chemistry, Analytical
Mark A. Buckingham, Leigh Aldous
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2020)
Article
Chemistry, Physical
Yuqing Liu, Shuai Zhang, Yuetong Zhou, Mark A. Buckingham, Leigh Aldous, Peter C. Sherrell, Gordon G. Wallace, Gregory Ryder, Shaikh Faisal, David L. Officer, Stephen Beirne, Jun Chen
ADVANCED ENERGY MATERIALS
(2020)
Article
Electrochemistry
Yuetong Zhou, Yuqing Liu, Mark A. Buckingham, Shuai Zhang, Leigh Aldous, Stephen Beirne, Gordon Wallace, Jun Chen
Summary: Thermo-electrochemical cells can convert heat energy into electrical power, suitable for harvesting low-grade heat from sources like the human body. Hydrochloric acid can improve the performance of gel electrolytes, while connecting individual thermocells in parallel can enhance current output.
ELECTROCHEMISTRY COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Mark A. Buckingham, Shuai Zhang, Yuqing Liu, Jun Chen, Frank Marken, Leigh Aldous
Summary: Around two-thirds of society's generated energy is lost as waste heat. Thermogalvanic cells and thermocapacitors offer ways to convert and store thermal energy. By creating superabsorbent hydrogel matrices through vessel-templated synthesis, the ability to improve electrocatalysis, prevent electrolyte leakage, and achieve high thermocapacitance densities has been demonstrated, opening up new possibilities for harvesting and storing low-grade waste thermal energy.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Nanoscience & Nanotechnology
Mark A. Buckingham, Florence Stoffel, Shuai Zhang, Yuqing Liu, Frank Marken, Jun Chen, Leigh Aldous
Summary: Thermogalvanic cells can convert waste heat energy into electrical energy, while thermocapacitors can store this electrical energy. This study investigates the use of nanostructuring to enhance the thermocapacitance performance of polyacrylate hydrogel containing [Fe(CN)(6)](3-/4-). The results show that modifying the electrode with nanomaterials increases the electroactive surface area and charging-discharging rates, while changing the degree of neutralization of the hydrogel significantly improves thermocapacitance when high concentrations of ferricyanide/ferrocyanide electrolyte are available.
ACS APPLIED NANO MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Kristine Laws, Mark A. Buckingham, Matthew Farleigh, Michelle Ma, Leigh Aldous
Summary: Thermogalvanic devices convert low grade waste thermal energy into electrical energy through entropically favorable electrochemical reactions. This study investigates the use of cobalt (ii/iii) sarcophagine in thermogalvanic cells with different solvents. Different solvents affect the Seebeck coefficient, with higher values observed in low dielectric and bulky solvents. The study demonstrates the importance of ionic charge on pendant moieties in enhancing entropically-driven processes.
CHEMICAL COMMUNICATIONS
(2023)
Article
Engineering, Environmental
Yuetong Zhou, Shuai Zhang, Mark A. Buckingham, Leigh Aldous, Stephen Beirne, Chang Wu, Yuqing Liu, Gordon Wallace, Jun Chen
Summary: This study developed a novel porous gel for wearable thermocell devices, which improved the mass transport of electrolyte. The introduction of guanidinium effectively enhanced the power density and thermosensitive response of the cell. By assembling p-type and n-type cells in series, a flexible wearable device was created that successfully harvested human body heat to charge a supercapacitor and illuminate an LED.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Maria A. Trosheva, Mark A. Buckingham, Leigh Aldous
Summary: The study reveals significant discrepancies between actual measurements and theoretical estimates, with efficiency showing opposite trends in electrode separation and temperature difference. Gelled electrolytes have the ability to suppress heat flux mechanisms and achieve experimentally determined high efficiency values.
Article
Chemistry, Multidisciplinary
Mark A. Buckingham, Kristine Laws, Edward Cross, Andrew J. Surman, Leigh Aldous
Summary: Thermogalvanic devices can recover wasted thermal energy, but the use of safe chemicals is essential. This study explored various anionic polycarboxylate and polyaminocarboxylate ligands as potential replacements for the widely used [Fe(CN)(6)](3-/4-) redox couple.
Article
Chemistry, Multidisciplinary
Mark A. Buckingham, Kristine Laws, Huanxin Li, Yafei Kuang, Leigh Aldous
Summary: The majority of usable energy generated by humanity is lost as waste heat, but thermogalvanic systems can convert low-grade waste heat directly into electricity. The concentration of the redox couple is critical for power generation, with higher concentrations usually resulting in more power. This study demonstrates the use of Na+ and K+ counter ions to achieve the most concentrated stable aqueous ferricyanide/ferrocyanide thermocell to date.
CELL REPORTS PHYSICAL SCIENCE
(2021)
Article
Chemistry, Analytical
Renata A. Grothe, Alnilan Lobato, Bassim Mounssef, Nikola Tasi, Ataualpa A. C. Braga, Adriano O. Maldaner, Leigh Aldous, Thiago R. L. C. Paixao, Luis Moreira Goncalves
Summary: A novel electroanalytical method was developed using electropolymerized molecularly imprinted polymers for the determination and 'fingerprinting' of benzocaine in cocaine samples. This approach successfully achieved molecular recognition with a low detection limit in genuine cocaine samples.
Article
Chemistry, Multidisciplinary
Mark A. Buckingham, Kristine Laws, Jason T. Sengel, Leigh Aldous
Article
Chemistry, Physical
Mark A. Buckingham, Samer Hammoud, Huanxin Li, Conor J. Beale, Jason T. Sengel, Leigh Aldous
SUSTAINABLE ENERGY & FUELS
(2020)
Article
Chemistry, Multidisciplinary
Hassan A. H. Alzahrani, Mark A. Buckingham, William P. Wardley, Richard D. Tilley, Nicholas Ariotti, Leigh Aldous
CHEMICAL COMMUNICATIONS
(2020)
