Rev 12963 | Show entire file | Ignore whitespace | Details | Blame | Last modification | View Log | RSS feed
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 |
|
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 |
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 |
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 |
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 |
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 |
|
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 |
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 |
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 |
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> |