Re: Simulating electrochemical reactions with Mathematica

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

.

Relevant Pages

  • Re: Simulating electrochemical reactions with Mathematica
    ... black box package like Polarograph is perhaps to do a proof of concept first ... in order to justify purchasing Mathematica. ... Research not making their package as widely available in low cost student ... > The objective of SERM is to demonstrate how to make your own simulations ...
    (sci.chem.electrochem)
  • Re: Simulating electrochemical reactions with Mathematica
    ... > black box package like Polarograph is perhaps to do a proof of concept first ... > in order to justify purchasing Mathematica. ... No its much the same in australia (re matlab being more prevalent). ... mathematica numerics are apparently as good or better than matlab. ...
    (sci.chem.electrochem)
  • Re: Interval library + arbitrary precision library + functional language = something worth having?
    ... Intervals are the default representation of reals in Mathematica. ... These two expressions time the computation of a Fourier transform ... Interval arithmetic is substantially slower and numerical ... I should have said "For the class of simulations where numerical ...
    (comp.lang.functional)
  • Re: Visualizing a curved space
    ... They are the Tensorial 4.0 package for tensor calculus and the DrawGraphics package for making diagrams and animations. ... alternative approach which will probably be more convenient and will certainly be significantly cheaper, at least for readers who are registered university students or who already own Mathematica or Maple. ... I am not affiliated in any way with the GRTensorII team, BTW, but I have used this software extensively and know that it is convenient and very easy to learn and use. ...
    (sci.physics.research)
  • Re: Mathematica AddOn
    ... Hi John, ... the problem you faced might not come from that: I have just downloaded and installed successfully the package after I had created a directory called StableDistribution. ... First, in Mathematica, evaluate $UserAddOnsDirectory. ...
    (sci.stat.math)