Microstructural and dynamical heterogeneities in ionic liquids
Ionic liquids (ILs) are a special category of molten salts solely composed of ions with varied
molecular symmetry and charge delocalization. The versatility in combining varied cation …
molecular symmetry and charge delocalization. The versatility in combining varied cation …
Calculating multidimensional optical spectra from classical trajectories
RF Loring - Annual Review of Physical Chemistry, 2022 - annualreviews.org
Multidimensional optical spectra are measured from the response of a material system to a
sequence of laser pulses and have the capacity to elucidate specific molecular interactions …
sequence of laser pulses and have the capacity to elucidate specific molecular interactions …
Data-Driven Many-Body Models for Molecular Fluids: CO2/H2O Mixtures as a Case Study
In this study, we extend the scope of the many-body TTM-nrg and MB-nrg potential energy
functions (PEFs), originally introduced for halide ion–water and alkali-metal ion–water …
functions (PEFs), originally introduced for halide ion–water and alkali-metal ion–water …
Dynamics of a room temperature ionic liquid in supported ionic liquid membranes vs the bulk liquid: 2D IR and polarized IR pump–probe experiments
Supported ionic liquid membranes (SILMs) are membranes that have ionic liquids
impregnated in their pores. SILMs have been proposed for advanced carbon capture …
impregnated in their pores. SILMs have been proposed for advanced carbon capture …
Carbon Dioxide in a Supported Ionic Liquid Membrane: Structural and Rotational Dynamics Measured with 2D IR and Pump–Probe Experiments
Supported ionic liquid membranes (SILMs) are porous membranes impregnated with ionic
liquids (ILs) and used as advanced carbon capture materials. Here, two-dimensional …
liquids (ILs) and used as advanced carbon capture materials. Here, two-dimensional …
Controlling the dynamics of ionic liquid thin films via multilayer surface functionalization
The structural dynamics of planar thin films of an ionic liquid (IL) 1-butyl-3-
methylimidazolium bis (trifluoromethylsulfonyl) imide (BmimNTf2) as a function of surface …
methylimidazolium bis (trifluoromethylsulfonyl) imide (BmimNTf2) as a function of surface …
[HTML][HTML] Water-anion hydrogen bonding dynamics: Ultrafast IR experiments and simulations
Many of water's remarkable properties arise from its tendency to form an intricate and robust
hydrogen bond network. Understanding the dynamics that govern this network is …
hydrogen bond network. Understanding the dynamics that govern this network is …
Dynamics in a room-temperature ionic liquid from the cation perspective: 2D IR vibrational echo spectroscopy
The dynamics of the room-temperature ionic liquid (RTIL) 1-butyl-3-methylimidazolium bis
(trifluoromethylsulfonyl) imide (BmimNTf2) were investigated with two-dimensional infrared …
(trifluoromethylsulfonyl) imide (BmimNTf2) were investigated with two-dimensional infrared …
Structural dynamics in ionic liquid thin films: The effect of cation chain length
The structural dynamics of planar∼ 100 nm thin films of three ionic liquids (ILs) were
investigated using ultrafast two-dimensional infrared (2D-IR) spectroscopy. The ILs share …
investigated using ultrafast two-dimensional infrared (2D-IR) spectroscopy. The ILs share …
Cost and Heat Integration Analysis for CO2 Removal Using Imidazolium-Based Ionic Liquid-ASPEN PLUS Modelling Study
The recent advancement in efficient and recoverable CO2 capture solvents has been
stimulated by the environmental harm resulting from the accumulation of greenhouse gases …
stimulated by the environmental harm resulting from the accumulation of greenhouse gases …