Experimental and theoretical studies on some selected ionic liquids with different cations/anions as corrosion inhibitors for mild steel in acidic medium

S Yesudass, LO Olasunkanmi, I Bahadur… - Journal of the Taiwan …, 2016 - Elsevier
Inhibition of mild steel corrosion in 1 M HCl solution by some alkylimidazolium-based ionic
liquids (ILs) namely 1-ethyl-3-methylimidazolium ethylsulfate [EMIM]+[EtSO 4]−, 1-ethyl-3 …

Corrosion inhibition and adsorption of imidazolium based ionic liquid over P110 steel surface in 15% HCl under static and dynamic conditions: Experimental, surface …

A Singh, KR Ansari, MA Quraishi, P Banerjee - Journal of Molecular Liquids, 2021 - Elsevier
The present paper deals with the corrosion inhibition evaluation of imidazoline based ionic
liquid, namely 1-Decyl-3-methylimidazolium chloride (DMIC) on P110 steel in 15% HCl …

Impact of alkyl chain length and water on the structure and properties of 1-alkyl-3-methylimidazolium chloride ionic liquids

P Sanchora, DK Pandey, HL Kagdada… - Physical Chemistry …, 2020 - pubs.rsc.org
The influence of the length of the alkyl chain and water molecules on the hydrogen-bond
interaction of the chloride anion and imidazolium-based cation of the ionic liquid (IL) Cnmim …

Structure and dynamics in amino acid choline-based ionic liquids: a combined QTAIM, NCI, DFT, and molecular dynamics study

M Moosavi, N Banazadeh… - The Journal of Physical …, 2019 - ACS Publications
Amino acid choline-based ionic liquids (AACBILs) have high biodegradability, low toxicity,
availability, low cost, and high thermal stability compared to the traditional ionic liquids (ILs) …

Unraveling the structural and dynamic heterogeneities of hydroxyl-functionalized di-cationic ionic liquids (HFDILs): An integrated ab initio and molecular dynamics …

M Torkzadeh, M Moosavi, S Rezaee - Journal of Molecular Liquids, 2024 - Elsevier
This study comprehensively investigates the effects of hydroxyl groups in side chains and
cation symmetry on intra-and inter-molecular structures, dynamics, and thermodynamic …

Local order and long range correlations in imidazolium halide ionic liquids: a combined molecular dynamics and XAS study

V Migliorati, A Serva, G Aquilanti, S Pascarelli… - Physical Chemistry …, 2015 - pubs.rsc.org
A thorough characterization of the structural properties of alkylimidazolium halide ionic
liquids (ILs), namely 1-alkyl-3-methylimidazolium bromide ([Cnmim] Br with n= 5, 6, 8, 10) …

Development of Imidazolium-Based Parameters for AMOEBA-IL

JE Vázquez-Cervantes… - The Journal of Physical …, 2023 - ACS Publications
A new approach for the efficient parametrization of the polarizable ionic liquid potential
AMOEBA-IL and its application to develop parameters for imidazolium-based cations is …

Structural and dynamic properties of eutectic mixtures based on menthol and fatty acids derived from coconut oil: A MD simulation study

S Barani pour, J Jahanbin Sardroodi… - Scientific reports, 2022 - nature.com
The structural and dynamical properties of the binary mixture of Menthol (MEN) and Fatty
acids (FAs) were investigated using molecular dynamics simulations. To this end, the …

From volatility to solubility: Thermodynamics of imidazolium-based ionic liquids containing chloride and bromide anions

DH Zaitsau, R Siewert, AA Pimerzin, M Buelow… - Journal of Molecular …, 2021 - Elsevier
Ionic liquids (ILs) are effectively used for tuning the composition and the morphology of
nanoparticles or stabilizing agents for nanoparticles for catalytic dehydrogenation …

Tricationic ionic liquids: structural and dynamical properties via molecular dynamics simulations

E Sedghamiz, M Moosavi - The Journal of Physical Chemistry B, 2017 - ACS Publications
Three imidazolium-based linear tricationic ionic liquids (LTILs) have been simulated to study
their structural and dynamical properties and obtain a fundamental understanding of the …