Residual water in ionic liquids: clustered or dissociated?

2015 ◽  
Vol 17 (22) ◽  
pp. 14710-14718 ◽  
Author(s):  
Joshua E. S. J. Reid ◽  
Adam J. Walker ◽  
Seishi Shimizu
Keyword(s):  
Ionic Liquids ◽  
Thermodynamic Theory ◽  
Statistical Thermodynamic ◽  
Water Molecules ◽  
Residual Water

A rigorous statistical thermodynamic theory clarifies how residual water molecules interact in three dialkylimidazolium ionic liquids.

The properties of residual water molecules in ionic liquids: a comparison between direct and inverse Kirkwood–Buff approaches

2017 ◽  
Vol 19 (29) ◽  
pp. 18924-18937 ◽  
Author(s):  
Takeshi Kobayashi ◽  
Joshua E. S. J. Reid ◽  
Seishi Shimizu ◽  
Maria Fyta ◽  
Jens Smiatek
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulations ◽  
Liquid Mixtures ◽  
Water Molecules ◽  
Residual Water ◽  
Dynamics Simulations

Atomistic molecular dynamics simulations of aqueous ionic liquid mixtures were performed in order to compare the resulting Kirkwood–Buff integrals with experimental data and the corresponding integrals derived by an inverse Kirkwood–Buff approach.

scholarly journals Cooperativity in micellar solubilization

2021 ◽  
Vol 23 (14) ◽  
pp. 8705-8716
Author(s):  
Seishi Shimizu ◽  
Nobuyuki Matubayasi
Keyword(s):  
Thermodynamic Theory ◽  
Statistical Thermodynamic ◽  
Micellar Solubilization

Enhanced surfactant association by solutes drives cooperative solubilization according to the universal statistical thermodynamic theory.

Hydration States of Cholinium Phosphate-Type Ionic Liquids as a Function of Water Content

2019 ◽  
Vol 72 (5) ◽  
pp. 392 ◽  
Author(s):  
Yohsuke Nikawa ◽  
Seiji Tsuzuki ◽  
Hiroyuki Ohno ◽  
Kyoko Fujita
Keyword(s):  
Ionic Liquids ◽  
Water Content ◽  
Alkyl Chain ◽  
Hydroxyl Group ◽  
Water Molecules ◽  
Hydroxyl Groups ◽  
Ion Structure ◽  
Activity Measurements ◽  
Microscopic Interactions ◽  
Dynamics Simulations

We investigated the hydration states of cholinium phosphate-type ionic liquids (ILs) in relation to ion structure, focusing on the influence of the hydroxyl group of the cation and the alkyl chain length of the anion. Water activity measurements provided information on the macroscopic hydration states of the hydrated ILs, while NMR measurements and molecular dynamics simulations clearly showed the microscopic interactions and coordination of the water molecules. The hydrogen bonding networks in these ILs were influenced by the anion structure and water content, and the mobility of water molecules was influenced by the number of hydroxyl groups in the cation and anion.

scholarly journals V2O2F4(H2O)2·H2O: a new V4+layer structure related to VOF3

2016 ◽  
Vol 72 (1) ◽  
pp. 80-83 ◽  
Author(s):  
Cameron Black ◽  
Philip Lightfoot
Keyword(s):  
Ionic Liquids ◽  
Title Compound ◽  
Solvothermal Synthesis ◽  
Layer Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Frustrated Magnets ◽  
Two Dimensional ◽  
Triangular Lattices ◽  
Solvothermal Conditions

VIVoxyfluorides are of interest as frustrated magnets. The successful synthesis of two-dimensionally connected vanadium(IV) oxyfluoride structures generally requires the use of ionic liquids as solvents. During solvothermal synthesis experiments aimed at producing two- and three-dimensional vanadium(IV) selenites with triangular lattices, the title compound, diaquatetra-μ-fluorido-dioxidodivanadium(IV) monohydrate, V2O2F4(H2O)2·H2O, was discovered and features a new infinite V4+-containing two-dimensional layer comprised of fluorine-bridged corner- and edge-sharing VOF4(H2O) octahedral building units. The synthesis was carried out under solvothermal conditions. The V4+centre exhibits a typical off-centring, with a short V=O bond and an elongatedtrans-V—F bond. Hydrogen-bonded water molecules occur between the layers. The structure is related to previously reported vanadium oxyfluoride structures, in particular, the same layer topology is seen in VOF3.

scholarly journals Fluctuation adsorption theory: quantifying adsorbate–adsorbate interaction and interfacial phase transition from an isotherm

2020 ◽  
Vol 22 (48) ◽  
pp. 28304-28316
Author(s):  
Seishi Shimizu ◽  
Nobuyuki Matubayasi
Keyword(s):  
Phase Transition ◽  
Adsorption Isotherm ◽  
Thermodynamic Theory ◽  
Statistical Thermodynamic ◽  
Adsorption Theory ◽  
Interfacial Phase

Adsorbate–adsorbate interaction can be determined directly from an adsorption isotherm via a rigorous statistical thermodynamic theory.

scholarly journals Capacitive Sensing of Icing under Vacuum and Cryogenic Temperatures

Sensors ◽  
2019 ◽  
Vol 19 (16) ◽  
pp. 3574 ◽  
Author(s):  
Juliana Padilha Leitzke ◽  
Tobias Mitterer ◽  
Hubert Zangl
Keyword(s):  
Capacitive Sensor ◽  
Water Molecules ◽  
Residual Water ◽  
Cryogenic Temperatures ◽  
Term Study ◽  
Long Term Study ◽  
Cryogenic Liquids ◽  
Sensor Configuration ◽  
The Stability

In certain industrial processes, ice aggregations on surfaces can occur under almost vacuum conditions and at very low to cryogenic temperatures due to residual water molecules. This aggregation can affect the performance of the process and it is therefore of interest to monitor such surfaces. In this paper, we present a capacitive ice measurement system capable to operate in vacuum and temperatures of about - 120 ∘ C and below. We present a capacitive sensor setup with a separation of sensor element and sensor electronics, such that the sensor electronics can reside outside the cold environment. It is demonstrated that the permittivity of such ice formations at vacuum and low temperatures is sufficient for measurement using the proposed sensor configuration. Results from a long-term study using a prototype further demonstrate the stability of the system and thus the feasibility of the proposed system for long term condition monitoring of surfaces in vacuum that are e.g., cooled by cryogenic liquids. The developed system uses wireless communication in order to allow for simple retrofitting of existing infrastructure even in remote locations.

Spectroscopic and Computational Insight into the Intermolecular Interactions between Zwitter-Type Ionic Liquids and Water Molecules

ChemPhysChem ◽  
2010 ◽  
Vol 11 (8) ◽  
pp. 1711-1717 ◽  
Author(s):  
HoSeok Park ◽  
Young Mee Jung ◽  
Seong Ho Yang ◽  
Weonho Shin ◽  
Jung Ku Kang ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Intermolecular Interactions ◽  
Water Molecules ◽  
Insight Into

Statistical thermodynamic theory of grafted polymeric layers

1993 ◽  
Vol 98 (6) ◽  
pp. 5006-5018 ◽  
Author(s):  
M. A. Carignano ◽  
I. Szleifer
Keyword(s):  
Thermodynamic Theory ◽  
Statistical Thermodynamic
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