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Conditions in chemical rate equations

From: Hannah Barjat <Hannah.Barjat@atm.ch.cam.ac.uk>
Date: Mon, 19 Nov 2007 11:46:22 +0000 (GMT)
To: www-math@w3.org
Message-ID: <Pine.GSO.4.64.0711191041130.13931@caesar.atm.ch.cam.ac.uk>

Please accept my apologies if this query is too trivial for this email 
list but I have been unable to find a suitable example to follow on the 
Internet. I wish to put a compliation of chemical rate expressions into 
content mathML, the reactions themselves will be expressed in CML. One of
the simplest examples is where the reaction follows the Arrhenius expression
k=Aexp(-B/T). I have shown an example of this (below), in mathML, 
(ignoring units for the time being) where A=1.9E-12 and B=270 with an 
associated error of plus/minus 500. The equation, in this case, is valid
where the temperature is between 240 and 340 K. It is this condition that 
I do not know how to write correctly. It does not appear to be correct 
just to place the condition directly after the equation (as below). Would 
I be better to use the domain of application element?

Thanks for your time, Hannah


<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"
                     xmlns:xsi="http://www.w3.org/2001/XMLSchema-
instance"
                     xsi:schemaLocation="http://www.w3.
org/1998/Math/MathML
                     http://www.w3.org/Math/XMLSchema/mathml2/mathml2.
xsd">
    <!--Arrhenius -->

    <mml:apply>
        <mml:eq/>
        <mml:csymbol
            definitionURL="http://www.iupac-
kinetic.ch.cam.ac.uk/mathml/ratecoefficient">
            <mml:ci>k</mml:ci>
        </mml:csymbol>
        <mml:apply>
            <mml:times />
            <mml:cn type="e-notation"> 1.9 <mml:sep /> -12 </mml:cn>
            <mml:apply>
                <mml:exp />
                <mml:apply>
                    <mml:divide />
                    <mml:apply>
                        <mml:mo>&#177;</mml:mo>
      <!--According to the mathML spec this should be: 
<mml:csymbol>&PlusMinus;</mml:csymbol> but to get it to render in my 
browser I use the presentation markup - in either case it will not render 
inline using the mathML style sheet-->
                        <mml:cn> 270 </mml:cn>
                        <mml:cn> 500 </mml:cn>
                    </mml:apply>
                    <mml:csymbol
   definitionURL="http://www.iupac-kinetic.ch.cam.ac.uk/mathml/temperature">
                        <mml:ci>T</mml:ci>
                    </mml:csymbol>
                </mml:apply>
            </mml:apply>
        </mml:apply>
    </mml:apply>

    <mml:condition>
<!-- I'm not sure that I should really tag the condition onto the end of 
the reaction; perhaps I should use <domain of application> directly within 
the equation ? -->
        <mml:apply>
            <mml:lt/>
            <mml:cn> 240 </mml:cn>
            <mml:csymbol
               definitionURL="http://www.iupac-kinetic.ch.cam.ac.uk/mathml
               /temperature"
                <mml:ci>T</mml:ci>
            </mml:csymbol>
            <mml:cn> 340 </mml:cn>
        </mml:apply>
    </mml:condition>
</mml:math>
Received on Monday, 19 November 2007 13:33:13 GMT

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