Hi,
this might be relevant here:
http://scripts.iucr.org/cgi-bin/paper?S0907444995000436
Imre
Clemens Grimm wrote:
regardless of what such a (kinetic) calculator will calculate at the
end -
we will have to feed it with data of the type "vapour pressure vs.
concentration and temperature" of substance X. Even without a whole
simulation tool for the kinetics of a vapour diffusion experiment this
will already enable us to tell what the equilibrium state/endpoint of
the experiment will be.
As the substances we are interested in are typically stuff like PEGs
and at very high concentration (non-ideal behaviour!), we will need
experimental data. For some salts there are tables. But for PEGs etc.
this has to be generated. I feel that only having this kind of data at
hand would already be tremendously useful!
Clemens
Zitat von Jacob Keller <j-kell...@md.northwestern.edu>:
Dear Crystallographers,
Is anybody aware of a calculator for vapor diffusion experiments to
plot concentrations of various solvent components as a function of
time? For a simple example, what happens when I mix a protein solution
containing 50mM NaCl 1:1 with a reservoir containing 50% MPD but no
salt? Where is the vapor diffusion equilibrium, and how does the drop
composition change as a function of time? More complicated would be
experiments involving volatile components other than water, as I
think, for example, ethanol would almost instantly equilibrate, then
the water diffusion would kick in over a longer time scale. Even more
complicated would be pH-dependent volatilities such as acetate. I
don't think this would be impossible to figure out, but it would be
nice if there were a pre-existing tool/server to do such.
Regards,
Jacob Keller
*******************************************
Jacob Pearson Keller
Northwestern University
Medical Scientist Training Program
Dallos Laboratory
F. Searle 1-240
2240 Campus Drive
Evanston IL 60208
lab: 847.491.2438
cel: 773.608.9185
email: j-kell...@northwestern.edu
*******************************************
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Dr. Clemens Grimm
Institut für Biochemie
Biozentrum der Universität Würzburg
Am Hubland
D-97074 Würzburg
Germany
e-mail: clemens.gr...@biozentrum.uni-wuerzburg.de
phone : +49 0931 888 84031
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