Dynamics of Weak, Bifurcated, and Strong Hydrogen Bonds in Lithium Nitrate Trihydrate

2011 ◽  
Vol 2 (13) ◽  
pp. 1633-1638 ◽  
Author(s):  
Jasper C. Werhahn ◽  
Stanislav Pandelov ◽  
Sotiris S. Xantheas ◽  
Hristo Iglev
Keyword(s):  
Hydrogen Bonds ◽  
Lithium Nitrate ◽  
Nitrate Trihydrate

Cyclic stability of lithium nitrate trihydrate in plate fin heat exchangers

2020 ◽  
Vol 179 ◽  
pp. 115476
Author(s):  
Achutha Tamraparni ◽  
Patrick J. Shamberger ◽  
Jonathan R. Felts
Keyword(s):  
Heat Exchangers ◽  
Lithium Nitrate ◽  
Cyclic Stability ◽  
Nitrate Trihydrate

Towards High Energy Density, High Conductivity Thermal Energy Storage Composites

2012 ◽  
Author(s):  
Patrick J. Shamberger ◽  
Daniel E. Forero
Keyword(s):  
Thermal Conductivity ◽  
Energy Storage ◽  
Energy Density ◽  
Thermal Energy ◽  
Thermal Energy Storage ◽  
High Energy ◽  
High Energy Density ◽  
Lithium Nitrate ◽  
Nitrate Trihydrate ◽  
Graphitic Foam

Thermal energy storage (TES) materials absorb transient pulses of heat, allowing for rapid storage of low-quality thermal energy for later use, and effective temperature regulation as part of a thermal management system. This paper describes recent development of salt hydrate-based TES composites at the Air Force Research Laboratory. Salt hydrates are known to be susceptible to undercooling and chemical segregation, and their bulk thermal conductivities remain too low for rapid heat transfer. Here, we discuss recent progress towards solving these challenges in the composite system lithium nitrate trihydrate/graphitic foam. This system takes advantage of both the high volumetric thermal energy storage density of lithium nitrate trihydrate and the high thermal conductivity of graphitic foams. We demonstrate a new stable nucleation agent specific to lithium nitrate trihydrate which decreases undercooling by up to ∼70% relative to previously described nucleation agents. Furthermore, we demonstrate the compatibility of lithium nitrate trihydrate and graphitic foam with the addition of a commercial nonionic silicone polyether surfactant. Finally, we show that thermal conductivity across water-graphite interfaces is optimized by tuning the surfactant concentration. These advances demonstrate a promising route to synthesizing high energy density, high thermal conductivity TES composites.

Bifurcated Hydrogen Bond in Lithium Nitrate Trihydrate Probed by ab Initio Molecular Dynamics

2012 ◽  
Vol 116 (9) ◽  
pp. 2147-2153 ◽  
Author(s):  
Francesco Muniz-Miranda ◽  
Marco Pagliai ◽  
Gianni Cardini ◽  
Roberto Righini
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bond ◽  
Ab Initio ◽  
Ab Initio Molecular Dynamics ◽  
Lithium Nitrate ◽  
Nitrate Trihydrate ◽  
Bifurcated Hydrogen Bond

scholarly journals Bis(2,2′-bipyridyl-κ2N,N′)chloridonickel(II) nitrate trihydrate

2014 ◽  
Vol 70 (5) ◽  
pp. m190-m191 ◽  
Author(s):  
Mehdi Boutebdja ◽  
Adel Beghidja ◽  
Chahrazed Beghidja ◽  
Zouaoui Setifi ◽  
Hocine Merazig
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Chloride Ion ◽  
Stacking Interactions ◽  
Trigonal Bipyramidal Geometry ◽  
Trigonal Bipyramidal ◽  
Nitrate Trihydrate ◽  
Hydrated Salt ◽  
Dimensional Network

In the title hydrated salt, [NiCl(C10H8N2)2](NO3)·3H2O, the Ni2+ion is coordinated by two 2,2′-bipyridyl (2,2′-bpy) ligands and a chloride ion in a trigonal–bipyramidal geometry. The chloride ion occupies an equatorial site and the dihedral angle between the 2,2′-bpy ring systems is 72.02 (6)°. In the crystal, the components are linked by C—H...O and O—H...O hydrogen bonds and aromatic π–π stacking interactions [shortest centroid–centroid separation = 3.635 (2) Å], generating a three-dimensional network.

Icelike Vibrational Properties of Strong Hydrogen Bonds in Hydrated Lithium Nitrate

2020 ◽  
Vol 124 (28) ◽  
pp. 5784-5789
Author(s):  
Daniel Hutzler ◽  
Klara Stallhofer ◽  
Reinhard Kienberger ◽  
Eberhard Riedle ◽  
Hristo Iglev
Keyword(s):  
Hydrogen Bonds ◽  
Vibrational Properties ◽  
Lithium Nitrate

scholarly journals Структура и колебательные свойства гидратов оксианионных кристаллов из первых принципов

2018 ◽  
Vol 60 (10) ◽  
pp. 2014
Author(s):  
Д.В. Корабельников ◽  
Ю.Н. Журавлев
Keyword(s):  
Hydrogen Bonds ◽  
Density Functional ◽  
Lithium Nitrate ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Stretching Vibration ◽  
Intramolecular Vibrations ◽  
Energy Of Hydrogen Bonds ◽  
Sulfate Hydrate ◽  
The Relationship

AbstractStructural parameters and IR spectra of hydrates of lithium and sodium perchlorates, calcium sulfate hydrate (gypsum), and lithium nitrate hydrate are calculated ab initio using the density functional theory. The bond lengths in the water molecules are established as functions of length and energy of hydrogen bonds. The relationship between lengths of intra-anionic and hydrogen bonds is considered. The splitting of intramolecular vibrations of water is highlighted. The stretching vibration frequency of water is determined as a function of length and energy of hydrogen bonds. The combined (mixed) vibrations of anions and molecules of water with frequencies below 1400 cm^–1 are feasible as well.

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