<?xml version="1.0" standalone="yes"?>
<!--

       Copyright 2011 Peter Murray-Rust et. al.

       Licensed under the Apache License, Version 2.0 (the "License");
       you may not use this file except in compliance with the License.
       You may obtain a copy of the License at

           http://www.apache.org/licenses/LICENSE-2.0

       Unless required by applicable law or agreed to in writing, software
       distributed under the License is distributed on an "AS IS" BASIS,
       WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
       See the License for the specific language governing permissions and
       limitations under the License.

-->

<reaction title="reaction1: simple acid-base reaction"
   xmlns:siUnits="http://www.xml-cml.org/units/siUnits"
   xmlns:units="http://www.xml-cml.org/units/units"
   xmlns="http://www.xml-cml.org/schema"
   xsi:schemaLocation="http://www.xml-cml.org/schema ../../schema.xsd" 
   xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
>
    <reactantList>
        <reactant id="r1" count="1" title="HCl">
            <molecule id="m1" ref="hcl"/>
        </reactant>
        <reactant id="r2" count="1" title="NaOH">
            <molecule id="m2" ref="naoh"/>
        </reactant>
    </reactantList>
    <substanceList>
        <substance id="ss1" role="subst:indicator">
            <molecule id="m3" ref="phenolphthalein"/>
        </substance>
    </substanceList>
    <conditionList>
        <scalar id="sc1" dictRef="cml:temp" units="units:celsius">25</scalar>
        <scalar id="sc2" dictRef="cml:vol" units="units:l">0.25</scalar>
    </conditionList>
    <productList>
        <product id="p1" count="1" title="NaCl">
            <molecule id="m4" ref="nacl"/>
        </product>
        <product id="p2" count="1" title="H2O">
            <molecule id="m5" ref="h2o"/>
        </product>
    </productList>
    <propertyList>
        <property id="pr1" title="heat of reaction" dictRef="cml:hreact">
            <scalar id="ss3" units="siUnits:kj.mol-1">12.345</scalar>
        </property>
        <property id="pr2" title="pH" dictRef="cml:ph">
            <scalar id="ss4" units="units:ph">7.23</scalar>
        </property>
    </propertyList>
</reaction>

