Interfacial bahaviour of indolecarboxylic acids and structural parameters

1991 ◽  
Vol 56 (4) ◽  
pp. 750-759 ◽  
Author(s):  
Luca Benedetti ◽  
Claudio Fontanesi ◽  
Giulio Camurri ◽  
Giovanna Battistuzzi Gavioli
Keyword(s):  
Aqueous Solution ◽  
Structural Parameters ◽  
Partial Charge ◽  
Aromatic System ◽  
Partial Charge Transfer ◽  
Charge Densities ◽  
Mercury Surface ◽  
Solution Interface ◽  
Experimental Values ◽  
Aromatic Anions

The adsorption at the mercury/aqueous solution interface of the 3-, 4-, 5-indolecarboxylic acids in their anionic form has been characterized. The thermodynamic analysis has shown that the process is mainly determined by the interaction of the planar aromatic system with the mercury surface and well described by a Frumkin type isotherm. From the experimental values of the electrosorption valency (γN) and using the model proposed by Schultze a relation between the partial charge transfer (λ) and the repulsive Frumkin interaction parameter has been found. At least, the interfacial activity of the aromatic anions is also discussed on the basis of localized (charge densities) and delocalized (frontier MO energies) theoretical parameters.

scholarly journals Theoretical Modeling of Crevice and Pitting Corrosion Processes in Relation to Corrosion of Radioactive Waste Containers

1989 ◽  
Vol 176 ◽  
Author(s):  
John C. Walton
Keyword(s):  
Experimental Data ◽  
Aqueous Solution ◽  
Radioactive Waste ◽  
Pitting Corrosion ◽  
Chemical Speciation ◽  
Solution Interface ◽  
Corrosion Cavity ◽  
Experimental Values ◽  
Full Consideration ◽  
Complex Ion

ABSTRACTA mathematical and numerical model for evaluation of crevice and pitting corrosion in radioactive waste containers is presented. The model considers mass transport, mass transfer at the metal/solution interface, and chemical speciation in the corrosion cavity. The model is compared against experimental data obtained in artificial crevices. Excellent agreement is found between modeled and experimental values for the potential. The importance of full consideration of complex ion formation in the aqueous solution is emphasized and illustrated.

Temperature Effect on the Two-Dimensional Phase Transition Kinetics of Adenine Adsorbed at the Hg Electrode/Aqueous Solution Interface

2003 ◽  
Vol 68 (8) ◽  
pp. 1407-1419 ◽  
Author(s):  
Claudio Fontanesi ◽  
Roberto Andreoli ◽  
Luca Benedetti ◽  
Roberto Giovanardi ◽  
Paolo Ferrarini
Keyword(s):  
Phase Transition ◽  
Aqueous Solution ◽  
Phase Change ◽  
Temperature Effect ◽  
Transition Rate ◽  
Effect Of Temperature ◽  
Two Dimensional ◽  
Solution Interface ◽  
Phase Transition Kinetics ◽  
Kinetics Of

The kinetics of the liquid-like → solid-like 2D phase transition of adenine adsorbed at the Hg/aqueous solution interface is studied. Attention is focused on the effect of temperature on the rate of phase change; an increase in temperature is found to cause a decrease of transition rate.

scholarly journals I. Thermo-electric behaviour of aqueous solutions with mercurial electrodes

1879 ◽  
Vol 29 (196-199) ◽  
pp. 472-482 ◽  
Keyword(s):  
Aqueous Solution ◽  
Aqueous Solutions ◽  
Internal Diameter ◽  
Thermo Electric ◽  
Thin Glass ◽  
Mercury Surface

In order to investigate this subject, I devised and constructed the following apparatus :—A and B are two thin glass basins, 81 millims. internal diameter (= 5,153 sq. millims. of mercury surface), and 6·0 centims. deep; each containing a layer of mercury about 1·0 centim. deep, covered by a layer, about 3 centims. deep, of the aqueous solution to be examined.

scholarly journals Insights into the interactions and dynamics of a DES formed by phenyl propionic acid and choline chloride

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Parisa Jahanbakhsh Bonab ◽  
Alireza Rastkar Ebrahimzadeh ◽  
Jaber Jahanbin Sardroodi
Keyword(s):  
Diffusion Coefficient ◽  
Liquid Phase ◽  
Propionic Acid ◽  
Structural Parameters ◽  
Choline Chloride ◽  
Self Diffusion ◽  
Phenyl Propionic Acid ◽  
Donor And Acceptor ◽  
Experimental Values ◽  
Self Diffusion Coefficient

AbstractDeep eutectic solvents (DESs) have received much attention in modern green chemistry as inexpensive and easy to handle analogous ionic liquids. This work employed molecular dynamics techniques to investigate the structure and dynamics of a DES system composed of choline chloride and phenyl propionic acid as a hydrogen bond donor and acceptor, respectively. Dynamical parameters such as mean square displacement, liquid phase self-diffusion coefficient and viscosity are calculated at the pressure of 0.1 MPa and temperatures 293, 321 and 400 K. The system size effect on the self-diffusion coefficient of DES species was also examined. Structural parameters such as liquid phase densities, hydrogen bonds, molecular dipole moment of species, and radial and spatial distribution functions (RDF and SDF) were investigated. The viscosity of the studied system was compared with the experimental values recently reported in the literature. A good agreement was observed between simulated and experimental values. The electrostatic and van der Waals nonbonding interaction energies between species were also evaluated and interpreted in terms of temperature. These investigations could play a vital role in the future development of these designer solvents.

scholarly journals Removal of Chromium from Aqueous Solution Using Modified Pomegranate Peel:Mechanistic and Thermodynamic Studies

2009 ◽  
Vol 6 (s1) ◽  
pp. S153-S158 ◽  
Author(s):  
Tariq S. Najim ◽  
Suhad A. Yassin
Keyword(s):  
Activation Energy ◽  
Solid Solution ◽  
Aqueous Solution ◽  
Adsorption Process ◽  
Batch Process ◽  
The Other ◽  
Water Molecules ◽  
Pomegranate Peel ◽  
Solution Interface ◽  
Adsorbent Surface

Modified pomegranate peel (MPGP) and formaldehyde modified pomegranate peel (FMPGP) were prepared and used as adsorbent for removal of Cr(VI) ions from aqueous solution using batch process. The temperature variation study of adsorption on both adsorbents revealed that the adsorption process is endothermic, from the positive values of ∆H˚. These values lie in the range of physisorption. The negative values of ∆G˚ show the adsorption is favorable and spontaneous. On the other hand, these negative values increases with increase in temperature on both adsorbents, which indicate that the adsorption is preferable at higher temperatures. ∆S˚ values showed that the process is accompanied by increase in disorder and randomness at the solid solution interface due to the reorientation of water molecules and Cr(VI) ions around the adsorbent surface. The endothermic nature of the adsorption was also confirmed from the positive values of activation energy, Ea, the low values of Ea confirm the physisorption mechanism of adsorption. The sticking probability, S*, of Cr(VI) ion on surface of both adsorbents showed that the adsorption is preferable due to low values of S*(0< S*< 1 ), but S*values are lower for FMPGP indicating that the adsorption on FMPGP is more preferable .

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