Modeling Tetraalkylammonium Halide Salts in Water: How Hydrophobic and Electrostatic Interactions Shape the Thermodynamic Properties

2009 ◽  
Vol 113 (13) ◽  
pp. 4360-4371 ◽  
Author(s):  
Hartmut Krienke ◽  
Vojko Vlachy ◽  
Gudrun Ahn-Ercan ◽  
Imre Bakó
Keyword(s):  
Thermodynamic Properties ◽  
Electrostatic Interactions ◽  
Tetraalkylammonium Halide ◽  
Halide Salts

scholarly journals Effect of truncating electrostatic interactions on predicting thermodynamic properties of water–methanol systems

2018 ◽  
Vol 45 (4-5) ◽  
pp. 336-350 ◽  
Author(s):  
A. Rahbari ◽  
R. Hens ◽  
S. H. Jamali ◽  
M. Ramdin ◽  
D. Dubbeldam ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
Electrostatic Interactions

scholarly journals The effect of electrostatic interactions on the formation of pharmaceutical eutectics

2018 ◽  
Vol 20 (43) ◽  
pp. 27361-27367 ◽  
Author(s):  
Z. Wojnarowska ◽  
W. Smolka ◽  
J. Zotova ◽  
J. Knapik-Kowalczuk ◽  
A. Sherif ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
Intermolecular Interactions ◽  
Electrostatic Interactions ◽  
Lidocaine Hydrochloride ◽  
Eutectic Mixtures ◽  
Anesthetic Agents ◽  
Prilocaine Hydrochloride

We have investigated two anesthetic agents, lidocaine hydrochloride (LD-HCl) and prilocaine hydrochloride (PRL-HCl), as well as their unionized counterparts, to explore the effect of intermolecular interactions on the formation and thermodynamic properties of eutectic mixtures.

Electrolyte Solutions

2004 ◽  
Author(s):  
W. Ronald Fawcett
Keyword(s):  
Thermodynamic Properties ◽  
Electrostatic Interactions ◽  
Solvent Molecule ◽  
Direct Interaction ◽  
Electrolyte Solutions ◽  
Water Molecules ◽  
Pure Liquid ◽  
Dipole Interactions ◽  
Solvent Molecules ◽  
The Individual

Electrolyte solutions are important in all branches of chemistry, but especially in analytical chemistry, and biochemistry. These systems by their nature are always non-ideal, and represented an early challenge to theoreticians interested in describing their thermodynamic properties. The solute components are ions, cations, and anions, which carry opposite charges and thus interact very differently with one another. The existence of electrolyte solutions depends on the polar properties of the solvent through which the individual ions are stabilized. When one recognizes the molecular nature of the solvent, one must also consider the interactions between solvent dipoles and the ion. This results in changes in solvent structure in the immediate vicinity of the ions. It follows that a complete description of an electrolyte solution at the molecular level requires the consideration of ion–dipole, ion–ion, and dipole–dipole interactions. In addition to these simple electrostatic interactions, one must also consider the role of hydrogen bonding in protic solvents like water. In very dilute electrolyte solutions, the most important consideration is ion– dipole interactions. One expects these interactions to be different for cations and anions. This follows from the fact that the solvent molecule is not a simple dipole in the electrostatic sense but instead it has a chemical structure which is different at each end of the molecular dipole. Each ion interacts locally with four to six solvent molecules in its immediate surroundings. In the case of water, the concentration of water molecules in the pure liquid is 55.5 M; it follows that the number of water molecules experiencing direct interaction with ions in dilute solutions represents a small fraction of the total number. As the electrolyte concentration increases, ion–ion interactions become more important in determining the thermodynamic properties of the solution. The electrostatic field of an ion is long ranged, decreasing with the reciprocal of the distance from the charge center of the ion. As a result a given ion has an ionic atmosphere in which the concentration of oppositely charged ions in its vicinity is slightly greater on the average than that of ions of the same charge.

Electron ionization-flash desorption in mass spectrometry of tetraalkylammonium halide salts

1981 ◽  
Vol 53 (2) ◽  
pp. 304-308 ◽  
Author(s):  
Terry D. Lee ◽  
William R. Anderson ◽  
G. Doyle. Daves
Keyword(s):  
Mass Spectrometry ◽  
Electron Ionization ◽  
Tetraalkylammonium Halide ◽  
Halide Salts ◽  
Flash Desorption

Models of Thermodynamic Properties of Prominences

1979 ◽  
Vol 44 ◽  
pp. 349-355
Author(s):  
R.W. Milkey
Keyword(s):  
Thermodynamic Properties ◽  
Mass Transport ◽  
Emission Spectrum ◽  
Thermodynamic Parameters ◽  
Working Group ◽  
Physical Processes ◽  
Theoretical Concepts ◽  
Group 3 ◽  
Observational Techniques

The focus of discussion in Working Group 3 was on the Thermodynamic Properties as determined spectroscopically, including the observational techniques and the theoretical modeling of physical processes responsible for the emission spectrum. Recent advances in observational techniques and theoretical concepts make this discussion particularly timely. It is wise to remember that the determination of thermodynamic parameters is not an end in itself and that these are interesting chiefly for what they can tell us about the energetics and mass transport in prominences.

Template mediated crystal engineering

1994 ◽  
Vol 52 ◽  
pp. 480-481
Author(s):  
Brigid R. Heywood ◽  
S. Champ
Keyword(s):  
Crystal Engineering ◽  
Electrostatic Interactions ◽  
Alkyl Chain ◽  
Crystallographic Axis ◽  
Two Dimensional ◽  
Engineering Process ◽  
Solution Interface ◽  
Extensive Program ◽  
Geometric Homology ◽  
Long Alkyl Chain

Recent work on the crystallisation of inorganic crystals under compressed monomolecular surfactant films has shown that two dimensional templates can be used to promote the oriented nucleation of solids. When a suitable long alkyl chain surfactant is cast on the crystallisation media a monodispersied population of crystals forms exclusively at the monolayer/solution interface. Each crystal is aligned with a specific crystallographic axis perpendicular to the plane of the monolayer suggesting that nucleation is facilitated by recognition events between the nascent inorganic solid and the organic template.For example, monolayers of the long alkyl chain surfactant, stearic acid will promote the oriented nucleation of the calcium carbonate polymorph, calcite, on the (100) face, whereas compressed monolayers of n-eicosyl sulphate will induce calcite nucleation on the (001) face, (Figure 1 & 2). An extensive program of research has confirmed the general principle that molecular recognition events at the interface (including electrostatic interactions, geometric homology, stereochemical complementarity) can be used to promote the crystal engineering process.

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