WebSVN – wimsdev – Diff – /trunk/wims/src/Misc/chemeq/chemeq.man.xml



        <refsect1 id="description">
                <title>DESCRIPTION</title>
                <para><command>&dhpackage;</command>
                is a chemical equation analyzer. It is a fast lexical
                and syntaxic analyser which helps to find out chemical
informations embedded in source chemical equations. Data can be output
in various sophisticated formats, depending on options.  'chemeq'
defaults to 'chemeq -mlcwCn'. </para>
        </refsect1>
        <refsect1 id="options">
                <title>OPTIONS</title>

                        </varlistentry>
                        <varlistentry>
                                <term><option>-c</option></term>
                                <listitem>
                                        <para>
Outputs  a message giving informations about the Conservation of
              elements and charges in the equation. 'OK' means that both
              elements and electric charges are balanced.</para>
                                </listitem>
                        </varlistentry>
                        <varlistentry>

                        <varlistentry>
                                <term><option>-W</option></term>
                                <listitem>
                                        <para>
Changes the behavior of the renderer for some versions of
<option>W</option>ims : works around a bug whith the macro \rightarrow.</para>
                                </listitem>
                        </varlistentry>
                        <varlistentry>
                                <term><option>-h</option></term>
                                <listitem>

                <title>EXAMPLES</title>
                <variablelist>
                  <varlistentry>
                    <term><option>echo "1/2 Cu^2+ + OH- ->  1/2Cu(OH)2s" | chemeq</option></term>
                    <listitem><para>
will display informations about the reaction of hydroxyde and Cu
II ions.</para>
                    </listitem>
                  </varlistentry>
                  <varlistentry>
                    <term><option>echo "MnO4^- + 8H3O^+ + 5e- --> Mn^2+ + 12 H2O" | chemeq</option></term>
                    <listitem><para>
will display informations about the  reaction  of  reduction  of
              permanganate ions in an acid environment.</para>
                    </listitem>
                  </varlistentry>
                  <varlistentry>
                    <term><option>echo "MnO4^- + 8H3O^+ + 5e- --> Mn^2+ + 12 H2O" | chemeq -w</option></term>

                <title>NOTES</title>
                <variablelist>
                  <varlistentry>
                    <term><option>syntax of ions</option></term>
                    <listitem><para>
allthough in some cases, shorter expressions are sucessfully parsed, it
       is safer to consider that an "up arrow" (^)  must  be  put  before  the
       charge symbols of an ion.  Examples : H3O^+, Fe(CN)6^4-, OH^-</para>
                    </listitem>
                  </varlistentry>
                  <varlistentry>
                    <term><option>Composing chemical equations</option></term>
                    <listitem><para>
       Two  operators are defined, # as an additive oprator and ~ (tilde) as a
       substractive operator: they allow to compose several chemical equations
 
     </para>
     <para><option>
       echo "MnO4^- + 8H3O^+ + 5e- --> Mn^2+ + 8 H2O ~ 5Fe^3+ + 5e- -> 5Fe^2+"
       | chemeq</option>
       </para>

                    </listitem>
                  </varlistentry>
                  <varlistentry>
                    <term><option>Mutiplying a chemical equation by one coefficient</option></term>
                    <listitem><para>
The  operator * permits to multiply a whole equation by one coefficient
       which may be a fraction. Here is an example:
</para><para><option>
       echo "5 * Fe^3+ + e- -> Fe^2+" | chemeq
</option></para><para>            will be equivalent to
</para><para><option>

       you to make more comlicated combinations, like this one:
</para><para><option>
       echo  "Fe^3+  +  e^-  ->  Fe^2+  (0.77 V) # Fe^2+ + 6CN^- -> Fe(CN)6^4-
       (Kfa=1e24) ~ Fe^3+ + 6CN^- -> Fe(CN)6^3- (Kfb=1e31)" | chemeq
</option></para><para>
              which will work as expected, and yeld a good value for the stan‐
              dard  potential  of  the redox couple of hexacyanoferrate II and
              III ions.</para>
                    </listitem>
                  </varlistentry>
                </variablelist>

Rev 12963	Rev 17747
Line 101...	Line 101...
101	<refsect1 id="description">	101	<refsect1 id="description">
102	<title>DESCRIPTION</title>	102	<title>DESCRIPTION</title>
103	<para><command>&dhpackage;</command>	103	<para><command>&dhpackage;</command>
104	is a chemical equation analyzer. It is a fast lexical	104	is a chemical equation analyzer. It is a fast lexical
105	and syntaxic analyser which helps to find out chemical	105	and syntaxic analyser which helps to find out chemical
106	~~information~~ embedded in source chemical equations. Data can be output	106	informations embedded in source chemical equations. Data can be output
107	in various sophisticated formats, depending on options. 'chemeq'	107	in various sophisticated formats, depending on options. 'chemeq'
108	defaults to 'chemeq -mlcwCn'. </para>	108	defaults to 'chemeq -mlcwCn'. </para>
109	</refsect1>	109	</refsect1>
110	<refsect1 id="options">	110	<refsect1 id="options">
111	<title>OPTIONS</title>	111	<title>OPTIONS</title>
Line 134...	Line 134...
134	</varlistentry>	134	</varlistentry>
135	<varlistentry>	135	<varlistentry>
136	<term><option>-c</option></term>	136	<term><option>-c</option></term>
137	<listitem>	137	<listitem>
138	<para>	138	<para>
139	Outputs a message giving ~~information~~ about the Conservation of	139	Outputs a message giving informations about the Conservation of
140	elements and charges in the equation. 'OK' means that both	140	elements and charges in the equation. 'OK' means that both
141	elements and electric charges are balanced.</para>	141	elements and electric charges are balanced.</para>
142	</listitem>	142	</listitem>
143	</varlistentry>	143	</varlistentry>
144	<varlistentry>	144	<varlistentry>
Line 188...	Line 188...
188	<varlistentry>	188	<varlistentry>
189	<term><option>-W</option></term>	189	<term><option>-W</option></term>
190	<listitem>	190	<listitem>
191	<para>	191	<para>
192	Changes the behavior of the renderer for some versions of	192	Changes the behavior of the renderer for some versions of
193	<option>W</option>ims : works around a bug ~~with~~ the macro \rightarrow.</para>	193	<option>W</option>ims : works around a bug whith the macro \rightarrow.</para>
194	</listitem>	194	</listitem>
195	</varlistentry>	195	</varlistentry>
196	<varlistentry>	196	<varlistentry>
197	<term><option>-h</option></term>	197	<term><option>-h</option></term>
198	<listitem>	198	<listitem>
Line 248...	Line 248...
248	<title>EXAMPLES</title>	248	<title>EXAMPLES</title>
249	<variablelist>	249	<variablelist>
250	<varlistentry>	250	<varlistentry>
251	<term><option>echo "1/2 Cu^2+ + OH- -> 1/2Cu(OH)2s" \| chemeq</option></term>	251	<term><option>echo "1/2 Cu^2+ + OH- -> 1/2Cu(OH)2s" \| chemeq</option></term>
252	<listitem><para>	252	<listitem><para>
253	will display ~~information~~ about the reaction of hydroxyde and Cu	253	will display informations about the reaction of hydroxyde and Cu
254	II ions.</para>	254	II ions.</para>
255	</listitem>	255	</listitem>
256	</varlistentry>	256	</varlistentry>
257	<varlistentry>	257	<varlistentry>
258	<term><option>echo "MnO4^- + 8H3O^+ + 5e- --> Mn^2+ + 12 H2O" \| chemeq</option></term>	258	<term><option>echo "MnO4^- + 8H3O^+ + 5e- --> Mn^2+ + 12 H2O" \| chemeq</option></term>
259	<listitem><para>	259	<listitem><para>
260	will display ~~information~~ about the reaction of reduction of	260	will display informations about the reaction of reduction of
261	permanganate ions in an acid environment.</para>	261	permanganate ions in an acid environment.</para>
262	</listitem>	262	</listitem>
263	</varlistentry>	263	</varlistentry>
264	<varlistentry>	264	<varlistentry>
265	<term><option>echo "MnO4^- + 8H3O^+ + 5e- --> Mn^2+ + 12 H2O" \| chemeq -w</option></term>	265	<term><option>echo "MnO4^- + 8H3O^+ + 5e- --> Mn^2+ + 12 H2O" \| chemeq -w</option></term>
Line 281...	Line 281...
281	<title>NOTES</title>	281	<title>NOTES</title>
282	<variablelist>	282	<variablelist>
283	<varlistentry>	283	<varlistentry>
284	<term><option>syntax of ions</option></term>	284	<term><option>syntax of ions</option></term>
285	<listitem><para>	285	<listitem><para>
286	~~although~~ in some cases, shorter expressions are ~~successfully~~ parsed, it	286	allthough in some cases, shorter expressions are sucessfully parsed, it
287	is safer to consider that an "up arrow" (^) must be put before the	287	is safer to consider that an "up arrow" (^) must be put before the
288	charge symbols of an ion. Examples : H3O^+, Fe(CN)6^4-, OH^-</para>	288	charge symbols of an ion. Examples : H3O^+, Fe(CN)6^4-, OH^-</para>
289	</listitem>	289	</listitem>
290	</varlistentry>	290	</varlistentry>
291	<varlistentry>	291	<varlistentry>
292	<term><option>Composing chemical equations</option></term>	292	<term><option>Composing chemical equations</option></term>
293	<listitem><para>	293	<listitem><para>
294	Two operators are defined, # as an additive oprator and ~ (tilde) as a	294	Two operators are defined, # as an additive oprator and ~ (tilde) as a
295	substractive operator: they allow ~~one~~ to compose several chemical	295	substractive operator: they allow to compose several chemical equations
296	equations	-
297	</para>	296	</para>
298	<para><option>	297	<para><option>
299	echo "MnO4^- + 8H3O^+ + 5e- --> Mn^2+ + 8 H2O ~ 5Fe^3+ + 5e- -> 5Fe^2+"	298	echo "MnO4^- + 8H3O^+ + 5e- --> Mn^2+ + 8 H2O ~ 5Fe^3+ + 5e- -> 5Fe^2+"
300	\| chemeq</option>	299	\| chemeq</option>
301	</para>	300	</para>
Line 311...	Line 310...
311	</listitem>	310	</listitem>
312	</varlistentry>	311	</varlistentry>
313	<varlistentry>	312	<varlistentry>
314	<term><option>Mutiplying a chemical equation by one coefficient</option></term>	313	<term><option>Mutiplying a chemical equation by one coefficient</option></term>
315	<listitem><para>	314	<listitem><para>
316	The operator * permits ~~one~~ to multiply a whole equation by one coefficient	315	The operator * permits to multiply a whole equation by one coefficient
317	which may be a fraction. Here is an example:	316	which may be a fraction. Here is an example:
318	</para><para><option>	317	</para><para><option>
319	echo "5 * Fe^3+ + e- -> Fe^2+" \| chemeq	318	echo "5 * Fe^3+ + e- -> Fe^2+" \| chemeq
320	</option></para><para> will be equivalent to	319	</option></para><para> will be equivalent to
321	</para><para><option>	320	</para><para><option>
Line 329...	Line 328...
329	you to make more comlicated combinations, like this one:	328	you to make more comlicated combinations, like this one:
330	</para><para><option>	329	</para><para><option>
331	echo "Fe^3+ + e^- -> Fe^2+ (0.77 V) # Fe^2+ + 6CN^- -> Fe(CN)6^4-	330	echo "Fe^3+ + e^- -> Fe^2+ (0.77 V) # Fe^2+ + 6CN^- -> Fe(CN)6^4-
332	(Kfa=1e24) ~ Fe^3+ + 6CN^- -> Fe(CN)6^3- (Kfb=1e31)" \| chemeq	331	(Kfa=1e24) ~ Fe^3+ + 6CN^- -> Fe(CN)6^3- (Kfb=1e31)" \| chemeq
333	</option></para><para>	332	</option></para><para>
334	which will work as expected, and ~~yield~~ a good value for the stan‐	333	which will work as expected, and yeld a good value for the stan‐
335	dard potential of the redox couple of hexacyanoferrate II and	334	dard potential of the redox couple of hexacyanoferrate II and
336	III ions.</para>	335	III ions.</para>
337	</listitem>	336	</listitem>
338	</varlistentry>	337	</varlistentry>
339	</variablelist>	338	</variablelist>

Subversion Repositories wimsdev

(root)/trunk/wims/src/Misc/chemeq/chemeq.man.xml @ 18183 – Rev 12963 → 17747