Microstructural and dynamical heterogeneities in ionic liquids

YL Wang, B Li, S Sarman, F Mocci, ZY Lu… - Chemical …, 2020 - ACS Publications
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 …

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 …

Data-Driven Many-Body Models for Molecular Fluids: CO2/H2O Mixtures as a Case Study

M Riera, EP Yeh, F Paesani - Journal of Chemical Theory and …, 2020 - ACS Publications
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 …

Dynamics of a room temperature ionic liquid in supported ionic liquid membranes vs the bulk liquid: 2D IR and polarized IR pump–probe experiments

JY Shin, SA Yamada, MD Fayer - Journal of the American …, 2017 - ACS Publications
Supported ionic liquid membranes (SILMs) are membranes that have ionic liquids
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

JY Shin, SA Yamada, MD Fayer - Journal of the American …, 2017 - ACS Publications
Supported ionic liquid membranes (SILMs) are porous membranes impregnated with ionic
liquids (ILs) and used as advanced carbon capture materials. Here, two-dimensional …

Controlling the dynamics of ionic liquid thin films via multilayer surface functionalization

B Wu, JP Breen, X Xing, MD Fayer - Journal of the American …, 2020 - ACS Publications
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 …

[HTML][HTML] Water-anion hydrogen bonding dynamics: Ultrafast IR experiments and simulations

SA Yamada, WH Thompson, MD Fayer - The Journal of Chemical …, 2017 - pubs.aip.org
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 …

Dynamics in a room-temperature ionic liquid from the cation perspective: 2D IR vibrational echo spectroscopy

SA Yamada, HE Bailey, A Tamimi, C Li… - Journal of the …, 2017 - ACS Publications
The dynamics of the room-temperature ionic liquid (RTIL) 1-butyl-3-methylimidazolium bis
(trifluoromethylsulfonyl) imide (BmimNTf2) were investigated with two-dimensional infrared …

Structural dynamics in ionic liquid thin films: The effect of cation chain length

B Wu, JP Breen, MD Fayer - The Journal of Physical Chemistry C, 2020 - ACS Publications
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 …

Cost and Heat Integration Analysis for CO2 Removal Using Imidazolium-Based Ionic Liquid-ASPEN PLUS Modelling Study

T Qureshi, M Khraisheh, F Almomani - Sustainability, 2023 - mdpi.com
The recent advancement in efficient and recoverable CO2 capture solvents has been
stimulated by the environmental harm resulting from the accumulation of greenhouse gases …