Article
Chemistry, Physical
Claudio Ferdeghini, Andrea Mezzetta, Felicia D'Andrea, Christian Silvio Pomelli, Lorenzo Guazzelli, Luca Guglielmero
Summary: This study provides a preliminary comparative evaluation of the effect of linker chain length and the size of aliphatic ammonium rings on the thermal and solubility properties of bromide dicationic ionic liquids.
Article
Chemistry, Physical
Zhaoxi Sun, Xiao Liu, Lei Zheng, Tong Cheng, Payam Kalhor, Zhe Huai, Qiaole He, Yang Li
Summary: Molecular simulation is a predictive tool for ionic liquids (ILs) derivatives, but the current charge scaling treatment cannot minimize the deviations between experiments and simulations for ILs from the pyrrolidinium family. Therefore, further parameter adjustment is needed.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Asyraf Hanim Ab Rahim, Noraini Abd Ghani, Noorhafizah Hasanudin, Normawati M. Yunus, Ninna Sakina Azman
Summary: This work presents an in-depth kinetic thermal degradation comparison between traditional monocationic and the newly developed dicationic ionic liquid (IL), both coupled with a bromide (Br-) anion by using non-isothermal thermogravimetric analysis. Thermal analyses of 1-butyl-1-methylpyrrolidinium bromide [C(4)MPyr][Br] and 1,4-bis(1-methylpyrrolidinium-1-yl)butane dibromide [BisC(4)MPyr][Br-2] were conducted at a temperature range of 50-650 degrees C and subjected to various heating rates, which are 5, 10, 15, 20 and 25 degrees C/min. Thermogravimetric analysis revealed that dicationic IL, [BisC(4)MPyr][Br-2] is less thermally stable compared to monocationic [C(4)MPyr][Br]. A detailed analysis of kinetic parameters, which are the activation energy (E-a) and pre-exponential factor (log A), was calculated by using Kissinger-Akahira-Sunose (KAS), Flynn-Wall-Ozawa (FWO) and Starink. This study revealed that the average E-a and log A of [BisC(4)MPyr][Br-2] are lower than [C(4)MPyr][Br], which may be contributed to by its low thermal stability. Conclusively, it proved that the E-a and log A of ILs are strongly related to the thermal stability of ILs.
Article
Biochemistry & Molecular Biology
Elena Gomez, Pedro Velho, Angeles Dominguez, Eugenia A. Macedo
Summary: By studying the thermal properties of binary mixtures, it was found that their thermal behavior differs significantly from that of pure ionic liquids, while the molar heat capacities closely approximate the average value of the two pure ionic liquids.
Article
Chemistry, Physical
Samira F. Kurtoglu-Oztulum, Ahsan Jalal, Alper Uzun
Summary: This study investigates the short-term thermal stability limits of immobilized ionic liquids on metal oxides and compares them with bulk ionic liquids. The results show that the thermal stability limits of the immobilized ionic liquids change significantly, and the anion type is the strongest factor affecting the thermal stability. The alkalinity of the anion and the surface acidity of the metal oxide have a significant impact on the stability limits.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Noorhafizah Hasanudin, Noraini Abd Ghani, Asyraf Hanim Ab Rahim, Ninna Sakina Azman, Nurhusna Aisyah Rosdi, Asiah Nusaibah Masri
Summary: This study investigates the potential conversion of dried microalgae Chlorella vulgaris into fatty acid methyl ester (FAME). The performance of two ionic liquids (ILs), IL 1 and IL 2, as catalysts for direct transesterification (DT) was compared. The results showed that IL 2 had a better catalytic performance, producing a higher amount of FAME. The kinetic study indicated that the reaction followed a first order kinetic reaction.
Article
Chemistry, Physical
Shanika Abeysooriya, Faezeh Makhlooghiazad, Jean-Noel Chotard, Luke A. A. O'Dell, Jennifer M. M. Pringle
Summary: Organic ionic plastic crystals (OIPCs) show promise as solid-state electrolyte materials for energy storage. In this study, the thermal phase behavior and transport properties of two pyrrolidinium-based OIPC mixtures were investigated. The addition of N-isopropyl-N-methylpyrrolidinium bis(fluorosulfonyl)imide ([C((i3))mpyr][FSI]) to N,N-diethylpyrrolidinium bis(fluorosulfonyl)imide ([C(2)epyr][FSI]) improved ion transport by increasing defects in the materials. The addition of 10 mol % LiFSI further enhanced the ionic conductivity of the binary mixture. The analysis provides insights into improving the properties of plastic crystals and developing solid-state electrolytes for battery applications.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Energy & Fuels
Ouahid Ben Ghanem, Maisara Shahrom Raja Shahrom, Syed Nasir Shah, Mohamed Ibrahim Abdul Mutalib, Jean-Marc Leveque, Zahoor Ullah, Mohanad El-Harbawi, Mohamad Sahban Alnarabiji
Summary: Four new pyrrolidinium-based amino acid ionic liquids were synthesized and characterized. The physicochemical properties of these amino acid ionic liquids, such as viscosity, density, thermal stability, and surface tension, were investigated. These ionic liquids were used as a green chemistry approach to extract naphthenic acid from a model oil, and the influence of amino acid anions on the de-acidification process was assessed. The extraction results showed that a small amount of the ionic liquids was sufficient to extract naphthenic acid from the high total acid number configuration of the model oil. The regeneration and reusability of the synthesized ionic liquids were also analyzed, and the potential toxicological effect of the synthesized set on the aquatic system was determined through an antimicrobial activity assay.
Article
Chemistry, Multidisciplinary
S. Vauthier, M. Alvarez-Tirado, G. Guzman-Gonzalez, L. C. Tome, S. Cotte, L. Castro, A. Gueguen, D. Mecerreyes, N. Casado
Summary: The role of binders is crucial to achieve high performance and long cycle lives in next-generation electrodes for lithium batteries. In this study, PDADMA poly(ionic liquid)s with fluorinated anions were used as cathode binders in Li-ion and Li-air batteries, showing improved cell performances and enhanced capacity values, rate performance, and cycling stability. The proposed fluorinated PDADMA Poly(ionic liquid)s can be a highly competitive alternative to conventional binders used nowadays in Li-ion and Li-air batteries.
MATERIALS TODAY CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Xiu-Qiang Duan, Guo-Yi Duan, Yao-Feng Wang, Xiao-Qiang Li, Rui Wang, Rui Zhang, Bao-Hua Xu
Summary: In this study, porous poly(ionic liquid) (PPIL)-based tin-silver (Sn-Ag) bimetallic hybrids (PPILm-SnxAg10-x) were prepared for high-performance formate electrolytic generation. The obtained formate Faradaic efficiency was 95.5% with a high partial current density of 214.9 mA cm(-2) at -1.03 V (vs reversible hydrogen electrode). The presence of Ag-species is vital for the formation and maintenance of active sites for CO2-to-formate conversion, while the introduction of Ag-species enhances the activity by increasing the electron density near the Fermi energy level.
Article
Chemistry, Multidisciplinary
Hyeonseok Han, Yong Suk Oh, Seokjoo Cho, Hyunwoo Park, Sung-Uk Lee, Kabseok Ko, Jae-Man Park, Jungrak Choi, Ji-Hwan Ha, Chankyu Han, Zichen Zhao, Zhuangjian Liu, Zhaoqian Xie, Je-Sang Lee, Weon Gi Min, Byeong-Ju Lee, Jahyun Koo, Dong Yun Choi, Minkyu Je, Jeong-Yun Sun, Inkyu Park
Summary: This paper presents a method for continuous multi-site monitoring of pressure and temperature distribution using wireless ionic liquid pressure sensors on bedridden or wheelchair-bound patients. The wirelessly delivered power enables stable operation of the sensors, which exhibit enhanced sensitivity, negligible hysteresis, high linearity, and cyclic stability. Experimental investigations and numerical simulations support the real-time, continuous, long-term monitoring capabilities of the sensor arrays. Clinical trials on two hemiplegic patients demonstrate the feasibility of reducing pressure and temperature distribution with minimal repositioning using the sensor arrays.
Article
Chemistry, Physical
Yan-Zhen Zheng, Yu Zhou, Hong-Yan He, Rui Guo, Da-Fu Chen
Summary: The study investigates the structure and hydrogen-bond features of pyrrolidinium/piperidinium based ILs and acetonitrile mixtures using FTIR and DFT calculations. It is found that throughout the concentration range, acetonitrile cannot break the strong coulombic interactions between the cation and anion, leading to weak hydrogen bonds in the ion pair/ion cluster-acetonitrile complexes.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Xiaoxia Liu, Yangyang Wang, Ronghao Liu, Ping Lv, Wenfeng Xue, Jinxin Guo, Huiying Wei, Yanzhao Yang
Summary: In order to address environmental problems and resource shortage, the recovery of gold from e-waste is urgently needed. This study synthesized three pyrrolidinium-based ionic liquids (ILs) with different N-substituents for solvent-free extraction of Au(III) and found that [Pyr-EA][NTf2] exhibited the highest extraction capacity. The influence of N-substituents on extraction performance was quantitatively studied and it was determined that the ester group (-COOR) was the most beneficial. The IL [Pyr-EA][NTf2] demonstrated exceptional selectivity and reusability, making it a promising prospect for sustainable gold recovery from e-waste.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Electrochemistry
Pietro Zaccagnini, Mara Serrapede, Marco Armandi, Stefano Bianco, Stefano Carminati, Massimo Zampato, Gianluca Melis, Candido Fabrizio Pirri, Andrea Lamberti
Summary: The study emphasizes the importance of energy storage devices that can operate in harsh environments and presents the evaluation of a prototype electrochemical supercapacitor's energy storage performance under high temperature and high pressure conditions. The results show that pressure affects dissipative parasite components of the device, while temperature strongly influences transport properties and capacitance.
ELECTROCHIMICA ACTA
(2023)
Article
Engineering, Chemical
Shuzi Liu, Dongkun Yu, Yu Chen, Ruifen Shi, Fengyi Zhou, Tiancheng Mu
Summary: This paper introduces the evaluation method of thermal stability of deep eutectic solvents (DESs). Traditional thermogravimetric analysis (TGA) has issues such as decomposition overlap and low resolution, while high-resolution TGA (HR-TGA) can more accurately evaluate the thermal stability of DESs.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Chemistry, Physical
Shobha Sharma, Harender S. Dhattarwal, Hemant K. Kashyap
JOURNAL OF MOLECULAR LIQUIDS
(2019)
Article
Chemistry, Physical
Supreet Kaur, Aditya Gupta, Hemant K. Kashyap
JOURNAL OF PHYSICAL CHEMISTRY B
(2020)
Article
Chemistry, Physical
Fei Wu, Shobha Sharma, Santanu Roy, Phillip Halstenberg, Leighanne C. Gallington, Shannon M. Mahurin, Sheng Dai, Vyacheslav S. Bryantsev, Alexander S. Ivanov, Claudio J. Margulis
JOURNAL OF PHYSICAL CHEMISTRY B
(2020)
Article
Chemistry, Physical
Monika Kumari, Aditya Gupta, Shobhna, Hemant K. Kashyap
JOURNAL OF PHYSICAL CHEMISTRY B
(2020)
Article
Chemistry, Physical
Shobha Sharma, Matthew S. Emerson, Fei Wu, Haimeng Wang, Edward J. Maginn, Claudio J. Margulis
JOURNAL OF PHYSICAL CHEMISTRY A
(2020)
Article
Chemistry, Physical
Aditya Gupta, Hemant K. Kashyap
Summary: Through simulation research, nanoscale structural organization was found in cholinium phenylalaninate ([Ch][Phe]) ionic liquid, with the intensity of the prepeak increasing as temperature rises. Hydrogen bond analysis revealed the presence of a single type of hydrogen bond in this IL, and some correlations were enhanced with increasing temperature.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Aditya Gupta, Harender S. Dhattarwal, Hemant K. Kashyap
Summary: Constant potential molecular dynamics simulations were used to investigate the interfacial structure of the cholinium glycinate biocompatible ionic liquid between graphite electrodes. The density oscillations of cations and anions near the electrodes increase with applied potential differences, and cations tend to move closer to the negative electrode, forming hydrogen bonds with anions. The differential capacitance of the bio-IL suggests promising potential applications as battery electrolytes.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Shobha Sharma, Alexander S. Ivanov, Claudio J. Margulis
Summary: Research on high-temperature molten salts is experiencing a resurgence due to their advantages in clean and sustainable energy applications. Past studies may require revision due to limitations in experimental setups, while access to isotopically substituted ions presents challenges for current research. This perspective article aims to provide a guide for researchers transitioning between ionic liquids and molten salts, focusing on structural features and force field requirements.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Chemistry, Physical
Santanu Roy, Martin Brehm, Shobha Sharma, Fei Wu, Dmitry S. Maltsev, Phillip Halstenberg, Leighanne C. Gallington, Shannon M. Mahurin, Sheng Dai, Alexander S. Ivanov, Claudio J. Margulis, Vyacheslav S. Bryantsev
Summary: By employing a multimodal approach and theoretical modeling, researchers in this work successfully resolved issues concerning the local structure of molten MgCl2. They demonstrated the reliability of AIMD simulations in achieving excellent agreement between experimental and simulated spectra, providing structural insights not directly available from experiments alone.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Chemistry, Physical
Waruni Karunaratne, Shobha Sharma, Benjamin M. Ocko, Claudio J. Margulis
Summary: This article explores the fundamental properties of molten salts and the structural changes at interfaces under applied electrical bias using X-ray reflectivity experiments. By utilizing conductive diamond for reflectivity experiments, the authors are able to gain atomic level information at the liquid side of the interface under extreme temperature conditions, providing insights into the behavior of different species at the interface.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
Matthew S. Emerson, Shobha Sharma, Santanu Roy, Vyacheslav S. Bryantsev, Alexander S. Ivanov, Ruchi Gakhar, Michael E. Woods, Leighanne C. Gallington, Sheng Dai, Dmitry S. Maltsev, Claudio J. Margulis
Summary: Lanthanides are important fission products in molten salt reactors, and understanding their structure and that of their mixtures is relevant to many scientific and technological problems. However, the literature on this topic is often fragmented and contradictory, necessitating the need for a clear and unified understanding of the structure. This article aims to answer specific questions about the structure of lanthanide salts.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Santanu Roy, Shobha Sharma, Waruni Karunaratne, Fei Wu, Ruchi Gakhar, Dmitry S. Maltsev, Phillip Halstenberg, Milinda Abeykoon, Simerjeet K. Gill, Yuanpeng Zhang, Shannon M. Mahurin, Sheng Dai, Vyacheslav S. Bryantsev, Claudio J. Margulis, Alexander S. Ivanov
Summary: This study reveals the clustering behavior of dilute Cr3+ metal ions in molten salt and demonstrates that the dynamical processes are primarily controlled by the charge density of the constituent ions. These findings challenge assumptions about specific ionic interactions and transport in molten salts.
Article
Chemistry, Physical
Santanu Roy, Fei Wu, Haimeng Wang, Alexander S. Ivanov, Shobha Sharma, Phillip Halstenberg, Simerjeet K. Gill, A. M. Milinda Abeykoon, Gihan Kwon, Mehmet Topsakal, Bobby Layne, Kotaro Sasaki, Yong Zhang, Shannon M. Mahurin, Sheng Dai, Claudio J. Margulis, Edward J. Maginn, Vyacheslav S. Bryantsev
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Article
Chemistry, Multidisciplinary
Neha Meena, Shobha Sharma, Ramprasad Bhatt, Vikki N. Shinde, Anurag Prakash Sunda, Nattamai Bhuvanesh, Anil Kumar, Hemant Joshi
CHEMICAL COMMUNICATIONS
(2020)
Meeting Abstract
Chemistry, Multidisciplinary
Santanu Roy, Fei Wu, Haimeng Wang, Shobha Sharma, Yong Zhang, Matthew Emerson, Vyacheslav Bryantsev, Edward Maginn, Claudio Margulis, Alexander Ivanov, Simerjeet Gill, Shannon Mahurin
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)