Seven years ago, Japanese researcher T. Ikeshoji reported on a
"Path-Integral Molecular Dynamics Simulation for Water Anion
Clusters of Various Sizes"
http://ptp.ipap.jp/link?PTPS/138/161/
In which molecular clusters of water - to which an electron is
attached - were investigated by path-integral molecular dynamics
for the electron. Sorry, the pdf is not available online without
an account, but the paper version can be found in a good
engineering library.
A solvated electron (interior state) and a dipole captured one
(surface state) were obtained for large and small clusters,
respectively, after producing several hundred clusters in various
structures and sizes.
Conclusion: this was a step in the right direction, but it is too
bad that this dynamic modeling was not taken further to the next
step - into applied engineering - as it might answer a most
important question.
The "answer" (or one answer of many) as to: how to solve the
energy crisis in an ecologically sound way - may lie in the
ability to add solvated electrons to water efficiently.
We know that the H-O-H molecule is "Y-shaped" with the two
hydrogens branching off at about 105 degrees of one end into the
so-called "Mickey-mouse" ears. We know that this "end" of the
water polar-molecule (with the two protons) has a net positive
near-field. We strongly suspect (from models such as the above)
that an electron which is "caught" between two of these water
molecules such that it "nests" between the four available protons
of the two aligned water molecules will have "exceptional"
stability.
This would look like something like :
--< (e-) >--
where one of the water molecules (--<) is given a 90 degree turn
about the long axis, wrt to the other.
This cannot be easily drawn using fonts. However, the arrangement
should be very logical to anyone who thinks about it for a moment.
By analogy, it resembles the automotive part known as a "universal
joint"
http://en.wikipedia.org/wiki/Universal_joint
Next step consider this species: let's call it the 2(H2O) solvated
anion
...or for short: TWA (two water anion) and imagine that it can
become one of the "active" modalities for so-called water-fuel.
How? It becomes a "nucleating agent" for a larger cluster and
in-effect "neutralizes" the charge. This structure can be a
clathrate or otherwise. Pay particular attention to the fourth
image on this page:
http://www.lsbu.ac.uk/php-cgiwrap/water/pfp.php3?page=http://www.lsbu.ac.uk/water/clathrate.html
that would be the image labeled 5(^12)6(^4)
How much energy would such a structure have if it enclose one TWA?
This is an intriguing question, and there are some
"interpretations" of published estimates - going up to over 10 eV.
That would be in addition to any hydronium and hydroxyl hydrate
which is being formed and retained at the same time.
Fred probably has an opinion of what the total energy could be...
and that is quite surprising, considering that is it is still
basically "just" water.
Jones
Now going from the sublime (flash of insight) to the ridiculous
(obligatory pun):
Can the entire world get high on a universal joint?
