Molecular-level analysis of the wetting behavior of imidazolium-based ionic liquids on bismuth telluride surfaces

2020 ◽  
Vol 211 ◽  
pp. 115270 ◽  
Author(s):  
Henry Atkinson ◽  
Jason E. Bara ◽  
C. Heath Turner
Keyword(s):  
Ionic Liquids ◽  
Bismuth Telluride ◽  
Molecular Level ◽  
Wetting Behavior ◽  
Level Analysis

Hidden in its color: A molecular-level analysis of the beer’s Maillard reaction network

2021 ◽  
pp. 130112
Author(s):  
Stefan A. Pieczonka ◽  
Daniel Hemmler ◽  
Franco Moritz ◽  
Marianna Lucio ◽  
Martin Zarnkow ◽  
...  
Keyword(s):  
Maillard Reaction ◽  
Molecular Level ◽  
Reaction Network ◽  
Level Analysis

scholarly journals Molecular-Level Investigation of Cycloaliphatic Epoxidised Ionic Liquids as a New Generation of Monomers for Versatile Poly(Ionic Liquids)

Polymers ◽  
2021 ◽  
Vol 13 (9) ◽  
pp. 1512
Author(s):  
Baris Demir ◽  
Gabriel Perli ◽  
Kit-ying Chan ◽  
Jannick Duchet-Rumeau ◽  
Sébastien Livi
Keyword(s):  
Ionic Liquids ◽  
Molecular Level ◽  
Computational Approach ◽  
Polymer Materials ◽  
Chemical Structures ◽  
Cycloaliphatic Epoxy ◽  
Polymer Models ◽  
Mechanical Performances ◽  
Dynamics Simulations ◽  
New Generation

Recently, a new generation of polymerised ionic liquids with high thermal stability and good mechanical performances has been designed through novel and versatile cycloaliphatic epoxy-functionalised ionic liquids (CEILs). From these first promising results and unexplored chemical structures in terms of final properties of the PILs, a computational approach based on molecular dynamics simulations has been developed to generate polymer models and predict the thermo–mechanical properties (e.g., glass transition temperature and Young’s modulus) of experimentally investigated CEILs for producing multi-functional polymer materials. Here, a completely reproducible and reliable computational protocol is provided to design, test and tune poly(ionic liquids) based on epoxidised ionic liquid monomers for future multi-functional thermoset polymers.

Elucidating sequence and solvent specific design targets to protect and stabilize enzymes for biocatalysis in ionic liquids

2017 ◽  
Vol 19 (26) ◽  
pp. 17426-17433 ◽  
Author(s):  
K. G. Sprenger ◽  
J. G. Plaks ◽  
J. L. Kaar ◽  
J. Pfaendtner
Keyword(s):  
Ionic Liquids ◽  
Structure Function ◽  
Molecular Level ◽  
Specific Design ◽  
Host Environment ◽  
Host Interactions

For many different frameworks, the structure, function, and dynamics of an enzyme is largely determined by the nature of its interactions with the surrounding host environment, thus a molecular level understanding of enzyme/host interactions is essential to the design of new processes and applications.

scholarly journals Insight into molecular-level interactions between imidazolium-based ionic liquids and cellulose combining NMR, SAXS and MD simulations

2019 ◽  
Vol 75 (a1) ◽  
pp. a268-a268
Author(s):  
Aparna Annamraju ◽  
Nicholas D. Smith ◽  
Loukas Petridis ◽  
Hugh O'Neill ◽  
Sai Venkatesh Pingali ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Molecular Level ◽  
Md Simulations ◽  
Insight Into

scholarly journals Experimental and molecular level analysis of natural ester delaying degradation of cellulose insulation polymer

High Voltage ◽  
2021 ◽  
Author(s):  
Jian Hao ◽  
Wenyu Ye ◽  
Chenyu Gao ◽  
Mengzhao Zhu ◽  
Lijun Yang ◽  
...  
Keyword(s):  
Molecular Level ◽  
Cellulose Insulation ◽  
Natural Ester ◽  
Level Analysis

Elucidating the Transition between CO 2 Physisorption and Chemisorption in 1,2,4-Triazolate Ionic Liquids at a Molecular Level

2021 ◽  
Author(s):  
Xutao Hu ◽  
Xuemei Yang ◽  
Lifang Chen ◽  
Mingcan Mei ◽  
Zhen Song ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Molecular Level

Surface Amplification of Tetraphenylporphyrin Overtone and Combination Raman Bands in Drop Coating Deposition Raman (DCDR) on Electrically Conductive Surfaces

2021 ◽  
Author(s):  
Phutri Milana ◽  
Veinardi Suendo ◽  
Tika Pebriani ◽  
Fry Voni Steky ◽  
Didi Prasetyo Benu ◽  
...  
Keyword(s):  
Measurement Technique ◽  
Molecular Level ◽  
Reliable Data ◽  
High Quality ◽  
Electrically Conductive ◽  
Coating Deposition ◽  
Raman Measurement ◽  
Level Analysis ◽  
Conductive Surfaces

It is essential to realize a Raman measurement technique without artifact or fluorescence signals for high-quality and reliable data in a valid molecular-level analysis and interpretation. This requirement applies especially...

Molecular Insights into the Abnormal Wetting Behavior of Ionic Liquids Induced by the Solidified Ionic Layer

2020 ◽  
Vol 59 (16) ◽  
pp. 8028-8036 ◽  
Author(s):  
Chenlu Wang ◽  
Cheng Qian ◽  
Zhen Li ◽  
Ning Wei ◽  
Ning Zhang ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Wetting Behavior ◽  
Ionic Layer

Glucose in dry and moist ionic liquid: vibrational circular dichroism, IR, and possible mechanisms

2020 ◽  
Vol 22 (19) ◽  
pp. 10726-10737 ◽  
Author(s):  
Jan Blasius ◽  
Roman Elfgen ◽  
Oldamur Hollóczki ◽  
Barbara Kirchner
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Circular Dichroism ◽  
Molecular Level ◽  
Vibrational Circular Dichroism ◽  
Circular Dichroïsm

The molecular level specification of glucose monomers in ionic liquids and their mixtures with water helps understanding cellulose processing in these liquids.

Molecular-Level Analysis of Shock-Wave Physics and Derivation of the Hugoniot Relations for Fused Silica

2011 ◽  
Vol 21 (6) ◽  
pp. 823-836 ◽  
Author(s):  
M. Grujicic ◽  
B. Pandurangan ◽  
Z. Zhang ◽  
W. C. Bell ◽  
G. A. Gazonas ◽  
...  
Keyword(s):  
Shock Wave ◽  
Molecular Level ◽  
Fused Silica ◽  
Level Analysis
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