Re: [Vo]: Re: Field Induced Ionization & Ion Hydration of Water

Sun, 06 Aug 2006 05:54:54 -0700

The4 Grotthuss Mechanism:
 
http://www.mpg.de/english/illustrationsDocumentation/documentation/pressReleases/1999/news03_99.htm
 

"Walking without moving: proton diffusion in water"

"Nearly 200 years after its initial conception, scientists from the Max Planck Institute for Solid State Research in Stuttgart and the New York University have unravelled the so-called "Grotthuss mechanism of structural diffusion" in microscopic detail, see Nature (volume 397, 18 February 1999). The insights gained will be of help in biology and chemistry, as discussed by J. T. Hynes in the accompanying "News and Views" article in the same issue. "

----- Original Message -----
From: Frederick Sparber
To: [email protected]
Sent: 8/6/2006 5:35:16 AM
Subject: Re: [Vo]: Re: Field Induced Ionization & Ion Hydration of Water

Recapping:
 
1, "Water tends to form small "NanoPolymers", x H2O -----> (H2O)x"
 
2, " The attraction for the proton of a molecule by a neighboring oxygen atom
in the (H2O)x nanopolymer causes some formation of OH- hydroxyl and hydronium H3O+ ions
2 H2O -----> H3O+ + OH- ".
3, "The Dipole Moments of the individual water molecules are additive in the Polymers ".
 
4, "Hydration of the ions forms nH2O.OH- and mH2O.H3O+ NanoClusters".
 
My Conclusion:
 
The "Activation" step applies a field (at voltages well below electrolysis levels)
that aligns the nanopolymer dipoles and stimulates exothermic "Pseudo-Autoionization"
and Hydration of the water.
 
Hence the pH will remain at about 7.0* even when all of the water is "activated" into
a "colloidal gel" of Nanoclusters.
 
The Nanoclusters will "burn" explosively in a microwave oven or an ICE releasing about
750 kJ/mole of ions formed.
 
* Dissolved CO2 , NOx, & SO2 will lower the pH to 5.7 or less.
 
 
 
 
 
 
Calculation of the absolute hydration enthalpy and free energy of H + and OH–
"The hydration enthalpy and Gibbs free energy of proton and hydroxide are calculated by means of a combination of ab initio density functional theory and a polarizable continuum model within the self-consistent reaction field method. The ion–water cluster models here used include up to 13 water molecules solvating the ions. This allows the first and second solvation shells to be described explicitly from first principles. Vibrational contributions to the enthalpy and entropy have been taken into account. Our best model of the hydrated proton includes three molecules in the first hydration shell and nine molecules in the second shell. The calculated proton hydration enthalpy is –1150 kJ/mol, which is in rather good agreement with the most recent results from cluster–ion solvation data. The hydration free energy of the proton has a larger error of 50–80 kJ/mol as compared to recently reported values. The calculated hydroxide hydration enthalpy, –520 kJ/mol, and hydration ! ! free energy, –400 kJ/mol, are consistent with well-established values taken from experiment. Two different sources of error in our calculations, namely, the nature of the hydrated complex and the outlying charge correction, are discussed. Moreover, we compare the results from three slightly different methods for the calculation of hydration energies. ©2000 American Institute of Physics. "
 
Fred
 
 
 
 

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