Re: Simulating electrochemical reactions with Mathematica

You make valid points. The only reason I would even think about using a
black box package like Polarograph is perhaps to do a proof of concept first
in order to justify purchasing Mathematica. We have Matlab and MathCAD but
unfortunately not Mathematica, which doesn't seem to be as popular in the
USA (at least judging from the PhD's preferences at our company), perhaps
because of Steve Wolfram's assertions about finite automata shaking down the
foundations of science. ;-) Seriously though, the modest popularity of
Mathematica compared to the other big three M's is more likely due Wolfram
Research not making their package as widely available in low cost student
versions (students graduate, then recommend that their employers buy the
package they're already familiar with). Maybe its a different case in
Australia.

Having access to the source code is essential for the kind of customization
I want to do. Even though I'd rather use Mathematica for its higher level
view of things and the availability of add-on packages like yours, research
dollars are in short supply so I'll have to try to make do with LEVMW, even
though its written in Fortran and its not for beginners.

Regards,
Nick

"Mike Honeychurch" <M.Honeychurch@xxxxxxxxx> wrote in message
news:BF261388.B37%M.Honeychurch@xxxxxxxxxxxx
> On 12/8/05 11:01 PM, in article ddi6j2$bur$1@xxxxxxxxxxxxxxxxxxxxxxxxxx,
> "www.DrHuang.com" <nospam@xxxxxxxxxx> wrote:
>
> >
> > "Mike" <m.HoneychurcNOSPAMh@xxxxxxxxx> wrote in message
> > news:BF1F97B2.AFF6%m.HoneychurcNOSPAMh@xxxxxxxxxxxx
> >> On 6/8/05 4:40 PM, in article Ud6dnRzyE_fC02nfRVn-rw@xxxxxxxxxxx, "Nick
> > J."
> >> <nospam@xxxxxxxxxx> wrote:
> >>
> >>> Evgenij,
> >>>
> >>> I've only briefly skimmed through LEVMW's 167-page manual but I'm
amazed
> > at
> >>> the depth to this package and its documentation. This is an impressive
> >>> amount of work to make freely available (I saw no license restrictions
> > at
> >>> all)! Its looks like it would be a powerful suite of tools for
fitting
> > data
> >>> to parametric models in the hands of those skilled in EIS. However, it
> >>> appears to assume a high level of EIS sophistication on the part of
the
> >>> user. I had the impression that the Mathematica package was more of an
> >>> introductory tutorial kind of package, but unfortunately I was unable
to
> >>> download the demo (got a "bad link" message).
> >>
> >> The link has now been fixed:
> >>
> >> http://www.ijournals.net/SERM/sample.zip
> >>
> >> Non Mathematica users who are curious can read the sample notebook by
> >> downloading "MatheReader" from Wolfram.com (a link is provided).
> >>
> >> Mike
> >>
> >> I was hoping to obtain some
> >>> kind of introductory tutorial to EIS and its modeling on a PC. Judging
> > from
> >>> the LEVMW manual, I can see why EIS might not be a very widely used
> > method
> >>> since there's obviously a formidable learning curve.
> >>>
> >>> Regards,
> >>> Nick
> >>>
> >>> "Evgenij Barsukov" <evgenij_b_no_spam@xxxxxxxxx> wrote in message
> >>> news:dcr3dl$174$1@xxxxxxxxxxxxxxxxxx
> >>>> Nick J. wrote:
> >>>>
> >>>>> It would be tempting to spend $2000 on Mathematica and SERM if it
> >>> included
> >>>>> an EIS simulation and fitting package. ;-)
> >
> > You do not need to spend $2000 while you can FREE download the software
> > POLAROGRAPH from
> > www.polarograph.com
> >
> > It is virtual polarograph, electrochemical simulator and data analyst.
It
> > plots and analyses any x-y data for peak location, peak height, peak
width,
> > semi-derivative, derivative, integral, semi-integral, convolution,
> > deconvolution, curve fitting, and separating overlapped peaks and
> > background. Curve fitting to any electrochemical parameter is easy by
click
> > to select that parameter.
> >
> >
>
> The objective of SERM is to demonstrate how to make your own simulations
> using Mathematica code. As such is not a black box program. It is 350
pages
> aimed at people who want to write code for particular problems that black
> box simulators will not do. As a grounding for writing your own codes,
code
> is discussed block by block for a wide variety of echem methods (LSV, CV,
> RDE, Chronoamperometry, chronopotentiometry, ACV, SWV, staircase, diff
> pulse, normal pulse, FT-AC), simulations methods (FIRM, FIFD,
> crank-nicolson, douglas) and mechanisms. The reason I chose to use
> Mathematica is that the notebooks combine text, graphics, code (and sound)
> and are thus an execellent tutorial platform. The SERM package is a 350
page
> manual (as well as extra code examples.) that allows readers/users to
> execute code as they read and change parameters to see what happens.
> Mathematica is also an excellent platform for symbolic derivation and
> creating mathematical documents (better than MS Word IMO but not as good
as
> LaTeX). Importantly Mathematica is cross platform. It runs on wintel and
> UNIX etc.
>
> Many institutions have licenses for mathematica (and maple, matlab etc.).
If
> yours does then you will not need to buy the mathematrica software. If it
> doesn't then you will.
>
> re: EIS, I do not know much about this however if anyone reading wanted to
> contribute a chapter let me know. I will also extend coverage to 2D
> simulations if their is enough interest in doing this.
>
> In summary comparing SERM to polarograph or digisim is apples and oranges.
> They serve different objectives.
>
> Cheers
>
> Mike
>


.

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    ... >>> the depth to this package and its documentation. ... >>> to parametric models in the hands of those skilled in EIS. ... >> Non Mathematica users who are curious can read the sample notebook by ... The objective of SERM is to demonstrate how to make your own simulations ...
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