Role of hydrogen-bond cooperativity and free-volume fluctuations in the non-Arrhenius behavior of water self-diffusion: A continuity-of-states model

1994 ◽  
Vol 49 (4) ◽  
pp. 2841-2850 ◽  
Author(s):  
R. Lamanna ◽  
M. Delmelle ◽  
S. Cannistraro
Keyword(s):  
Hydrogen Bond ◽  
Free Volume ◽  
Arrhenius Behavior ◽  
Self Diffusion ◽  
Volume Fluctuations ◽  
Hydrogen Bond Cooperativity

Role of hydrogen bond in self-diffusion process in liquid water

1974 ◽  
Vol 48 (4) ◽  
pp. 289-290 ◽  
Author(s):  
F.D. Ricci ◽  
M.A. Ricci ◽  
D. Rocca
Keyword(s):  
Hydrogen Bond ◽  
Diffusion Process ◽  
Liquid Water ◽  
Self Diffusion

Nature of intramolecular interactions of vitamin C in view of interacting quantum atoms: the role of hydrogen bond cooperativity on geometry

2016 ◽  
Vol 18 (27) ◽  
pp. 18278-18288 ◽  
Author(s):  
Saeid Ebrahimi ◽  
Hossein A. Dabbagh ◽  
Kiamars Eskandari
Keyword(s):  
Hydrogen Bond ◽  
Vitamin C ◽  
Interatomic Interaction ◽  
Cooperative Networks ◽  
Intramolecular Interactions ◽  
Interaction Energies ◽  
Interacting Quantum Atoms ◽  
Intramolecular Hydrogen ◽  
Hydrogen Bond Cooperativity

For the intramolecular hydrogen bond interplay in cooperativity, changes of the IQA atomic and interatomic interaction energies of the participant interactions were monitored during the formation of cooperative networks.

Role of the hydrogen bond donor component for a proper development of novel hydrophobic deep eutectic solvents

2019 ◽  
Vol 281 ◽  
pp. 423-430 ◽  
Author(s):  
Matteo Tiecco ◽  
Federico Cappellini ◽  
Francesco Nicoletti ◽  
Tiziana Del Giacco ◽  
Raimondo Germani ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Deep Eutectic Solvents ◽  
Hydrogen Bond Donor

scholarly journals On the role of hydrogen-bond exchanges in the spectral diffusion of water

2021 ◽  
Vol 154 (6) ◽  
pp. 064501
Author(s):  
Zeke A. Piskulich ◽  
Damien Laage ◽  
Ward H. Thompson
Keyword(s):  
Hydrogen Bond ◽  
Spectral Diffusion

Blends based on biodegradable poly(caprolactone) with outstanding barrier properties for packaging applications: The role of free volume and interactions

2020 ◽  
Vol 135 ◽  
pp. 109869
Author(s):  
María Ángeles Corres ◽  
Álvaro Mayor ◽  
Ainara Sangroniz ◽  
Javier del Río ◽  
Marian Iriarte ◽  
...  
Keyword(s):  
Free Volume ◽  
Barrier Properties ◽  
Biodegradable Poly ◽  
Poly Caprolactone

On the potential role of the amino nitrogen atom as a hydrogen bond acceptor in macromolecules

1998 ◽  
Vol 279 (5) ◽  
pp. 1123-1136 ◽  
Author(s):  
Ben Luisi ◽  
Modesto Orozco ◽  
Jiri Sponer ◽  
Francisco J Luque ◽  
Zippora Shakked
Keyword(s):  
Hydrogen Bond ◽  
Nitrogen Atom ◽  
Potential Role ◽  
Amino Nitrogen ◽  
Hydrogen Bond Acceptor ◽  
Amino Nitrogen Atom

Diffusion Mechanisms in Sige Alloys

1999 ◽  
Vol 568 ◽  
Author(s):  
Arthur F.W. Willoughby ◽  
Janet M. Bonar ◽  
Andrew D.N. Paine
Keyword(s):  
Diffusion Processes ◽  
Dopant Diffusion ◽  
Elemental Silicon ◽  
Self Diffusion ◽  
Si Substrates ◽  
Marker Layer ◽  
Diffusion Mechanisms ◽  
Silicon And Germanium ◽  
Charged Defects

ABSTRACTInterest in diffusion processes in SiGe alloys arises from their potential in HBT's, HFET's, and optoelectronics devices, where migration over distances as small as a few nanometres can be significant. Successful modelling of these processes requires a much improved understanding of the mechanisms of self- and dopant diffusion in the alloy, although recent progress has been made. It is the purpose of this review to set this in the context of diffusion processes in elemental silicon and germanium, and to identify how this can help to elucidate behaviour in the alloy. Firstly, self diffusion processes are reviewed, from general agreement that self-diffusion in germanium is dominated by neutral and acceptor vacancies, to the position in silicon which is still uncertain. Germanium diffusion in silicon, however, appears to be via both vacancy and interstitial processes, and in the bulk alloy there is evidence for a change in dominant mechanism at around 35 percent germanium. Next, a review of dopant diffusion begins with Sb, which appears to diffuse in germanium by a mechanism similar to self-diffusion, and in silicon via monovacancies also, from marker layer evidence. In SiGe, the effects of composition and strain in epitaxial layers on Si substrates are also consistent with diffusion via vacancies, but questions still remain on the role of charged defects. The use of Sb to monitor vacancy effects such as grown-in defects by low temperature MBE, are discussed. Lastly, progress in assessing the role of vacancies and interstitials in the diffusion of boron is reviewed, which is dominated by interstitials in silicon-rich alloys, but appears to change to domination by vacancies at around 40 percent germanium, although studies in pure germanium are greatly needed.

Molecular Dynamics Simulations for Loading-Dependent Diffusion of CO2, SO2, CH4, and Their Binary Mixtures in ZIF-10: The Role of Hydrogen Bond

Langmuir ◽  
2017 ◽  
Vol 33 (42) ◽  
pp. 11543-11553 ◽  
Author(s):  
Li Li ◽  
Deshuai Yang ◽  
Trevor R. Fisher ◽  
Qi Qiao ◽  
Zhen Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bond ◽  
Molecular Dynamics Simulations ◽  
Binary Mixtures ◽  
Dynamics Simulations
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