Influence of temperature on molecular interactions of imidazolium-based ionic liquids with acetophenone: thermodynamic properties and quantum chemical studies

RSC Advances ◽  
2016 ◽  
Vol 6 (106) ◽  
pp. 104708-104723 ◽  
Author(s):  
Indra Bahadur ◽  
Masilo Kgomotso ◽  
Eno E. Ebenso ◽  
Gan Redhi
Keyword(s):  
Ionic Liquids ◽  
Thermodynamic Properties ◽  
Molecular Interactions ◽  
Atmospheric Pressure ◽  
Quantum Chemical ◽  
Influence Of Temperature ◽  
Wide Range ◽  
Influence Of Temperature On ◽  
Chemical Studies ◽  
Quantum Chemical Studies

The thermophysical properties of a series of alkyl imidazolium-based ionic liquids with acetophenone over the wide range of composition and at (293.15, 303.15, 313.15, 323.5 and 333.15) K under atmospheric pressure is reported in this study.

Quantum Chemical Studies of Free-Radical, Hindered Phenol Stabilizers

2005 ◽  
Author(s):  
Jim Pfaendtner ◽  
Linda J. Broadbelt ◽  
Q. Jane Wang
Keyword(s):  
Thermodynamic Properties ◽  
Quantum Chemical ◽  
Transition State Theory ◽  
State Theory ◽  
Peroxy Radicals ◽  
Lubricant Degradation ◽  
Chemical Studies ◽  
Quantum Chemical Studies ◽  
Hindered Phenol ◽  
Commercial Lubricant

Quantum chemical investigations of the action of hindered phenol radical stabilizers in lubricant degradation chemistry have been completed. We are currently developing the first mechanistic models of lubricant degradation with the aim of including the chemistry of additives such as radical stabilizers that are found in commercial lubricant formulations. A key component of development of these models is obtaining reliable estimates of the kinetic parameters for all reactions. Specifically, rate constants and structure-reactivity correlations for the interaction of hindered phenol radical stabilizers with small peroxy radicals have been sought using quantum chemistry and transition state theory. Accurate thermodynamic properties of hindered phenol radical stabilizers and structure-reactivity relationships have been obtained. Such relationships provide researchers the ability to quickly estimate reactivity of hindered phenol stabilizers using their thermodynamic properties and therefore may be useful in additive design.

scholarly journals Adsorption, Thermodynamic and Quantum Chemical Studies of 1-hexyl-3-methylimidazolium Based Ionic Liquids as Corrosion Inhibitors for Mild Steel in HCl

Materials ◽  
2015 ◽  
Vol 8 (6) ◽  
pp. 3607-3632 ◽  
Author(s):  
Motsie Mashuga ◽  
Lukman Olasunkanmi ◽  
Abolanle Adekunle ◽  
Sasikumar Yesudass ◽  
Mwadham Kabanda ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Mild Steel ◽  
Quantum Chemical ◽  
Corrosion Inhibitors ◽  
Chemical Studies ◽  
Quantum Chemical Studies

Synthesis of 1,8-dioxooctahydroxanthene derivatives using ionic liquids, quantum chemical studies and anticancer activity

2020 ◽  
Vol 1208 ◽  
pp. 127786
Author(s):  
Reetu Sangwan ◽  
Monika Saini ◽  
Ruchi Verma ◽  
Saurabh Kumar ◽  
Monisha Banerjee ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Anticancer Activity ◽  
Quantum Chemical ◽  
Chemical Studies ◽  
Quantum Chemical Studies

scholarly journals Corrosion and hydrogen evolution rate control for X-65 carbon steel based on chitosan polymeric ionic liquids: experimental and quantum chemical studies

RSC Advances ◽  
2018 ◽  
Vol 8 (66) ◽  
pp. 37891-37904 ◽  
Author(s):  
S. M. Elsaeed ◽  
El Sayed H. El Tamany ◽  
H. Ashour ◽  
E. G. Zaki ◽  
E. A. Khamis ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Fatty Acid ◽  
Carbon Steel ◽  
Rate Control ◽  
Quantum Chemical ◽  
Amine Group ◽  
Corrosion Performance ◽  
Polymeric Ionic Liquids ◽  
Chemical Studies ◽  
Quantum Chemical Studies

The corrosion performance of carbon steel was tested in four polymeric ionic liquids (PILs) that differed only in the fatty acid linked to the chitosan (CS) amine group.

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