Compact Folding of Isolated Four-Residue Neutral Peptide Chains: H-Bonding Patterns and Entropy Effects

ChemPhysChem ◽  
2011 ◽  
Vol 12 (10) ◽  
pp. 1889-1899 ◽  
Author(s):  
Richard J. Plowright ◽  
Eric Gloaguen ◽  
Michel Mons
Keyword(s):  
Entropy Effects ◽  
Neutral Peptide ◽  
Bonding Patterns

Entropy effects in hypersonic flow over blunt delta wings

1991 ◽  
Vol 26 (2) ◽  
pp. 304-307
Author(s):  
S. A. Gorokhov ◽  
V. V. Eremin ◽  
A. M. Polyakov
Keyword(s):  
Hypersonic Flow ◽  
Delta Wings ◽  
Entropy Effects

scholarly journals Tuning the Performance of Aqueous Organic Redox Flow Batteries from First Principles

2020 ◽  
Author(s):  
Junting Yu ◽  
Tianshou Zhao ◽  
Ding Pan
Keyword(s):  
Energy Storage ◽  
First Principles ◽  
High Performance ◽  
Large Scale ◽  
Electrical Energy ◽  
Ab Initio Molecular Dynamics ◽  
Redox Potentials ◽  
Redox Flow Batteries ◽  
Flow Batteries ◽  
Entropy Effects

<div>Aqueous organic redox flow batteries have many appealing properties in the application of large-scale energy storage. The large chemical tunability of organic electrolytes shows great potential to improve the performance of flow batteries. Computational studies at the quantum-mechanics level are very useful to guide experiments, but in previous studies explicit water interactions and thermodynamic effects were ignored. Here, we applied the computational electrochemistry method based on ab initio molecular dynamics to calculate redox potentials of quinones and their derivatives. The calculated results are in excellent agreement with experimental data. We mixed side chains to tune their reduction potentials, and found that solvation interactions and entropy effects play a significant role in side-chain engineering. Based on our calculations, we proposed several high-performance negative and positive electrolytes. Our first-principles study paves the way towards the development of large-scale and sustainable electrical energy storage.</div>

Student Conceptions of Ionic Bonding: Patterns of thinking across three European contexts

2012 ◽  
Vol 34 (18) ◽  
pp. 2843-2873 ◽  
Author(s):  
Keith S. Taber ◽  
Georgios Tsaparlis ◽  
Canan Nakiboğlu
Keyword(s):  
Student Conceptions ◽  
Ionic Bonding ◽  
Bonding Patterns
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