Context Navigation

comp.c @ 3709

Last change on this file since 3709 was 2099, checked in by jvatant, 7 years ago
Fix a problem of interoperability C-Fortran for picky compilers. Using iso_c_binding could be a smart future improvement to bring. --JVO
File size: 20.3 KB

Line
1	/* comp: Compounds characteristics. */
2	/* GCCM */
3
4	#include "titan.h"
5
6	void comp_(char CORPS[][10], double CT, double TEMP,
7	double *MASS, double MD[][NLEV])
8	{
9	int i,j;
10
11	double m,ma,epsa,sig,siga,p;
12
13	p = 2.976e07; /9 10^7 R / 8 pi /
14
15	/* WARNING BACKGROUND GAS IS N2 */
16
17	ma = 28.0134e0; /* mass of background gas in g */
18	siga = 3.798e0; /* Lennard-Jones length of background gas 1/10 nm */
19	epsa = 71.4e0; /* Lennard-Jones energy of background gas */
20
21	for( i = 0; i <= NC-1; i++)
22	{
23	for( j = 0; j <= NLEV-1; j++ ) MD[i][j] = 0.0e0;
24	}
25
26	for( i = 0; i <= NC-1; i++ )
27	{
28	if( strcmp(CORPS[i], "CH4") == 0 )
29	{
30	MASS[i] = 16.04e0;
31	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
32	sig = 1.0e-16 * pow( ( siga + 3.758e0 ), 2.0e0 );
33	for( j = 0; j <= NLEV-1; j++ )
34	MD[i][j] = sqrt( p * TEMP[j] * m )
35	/ ( CT[j] * sig * omega(TEMP[j],epsa,148.6e0) );
36	}
37	if( strcmp(CORPS[i], "H") == 0 )
38	{
39	MASS[i] = 1.01e0;
40	}
41	if( strcmp(CORPS[i], "H2") == 0 )
42	{
43	MASS[i] = 2.0158e0;
44	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
45	sig = 1.0e-16 * pow( ( siga + 2.827e0 ), 2.0e0 );
46	for( j = 0; j <= NLEV-1; j++ )
47	MD[i][j] = sqrt( p * TEMP[j] * m )
48	/ ( CT[j] * sig * omega(TEMP[j],epsa,59.7e0) );
49	}
50	if( strcmp(CORPS[i], "CH") == 0 )
51	{
52	MASS[i] = 13.02e0;
53	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
54	sig = 1.0e-16 * pow( ( siga + 3.0e0 ), 2.0e0 );
55	for( j = 0; j <= NLEV-1; j++ )
56	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
57	}
58	if( ( strcmp( CORPS[i], "CH2" ) == 0 ) \|\| ( strcmp( CORPS[i], "CH2s" ) == 0 ) )
59	{
60	MASS[i] = 14.03e0;
61	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
62	sig = 1.0e-16 * pow( ( siga + 3.4e0 ), 2.0e0 );
63	for( j = 0; j <= NLEV-1; j++ )
64	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
65	}
66	if( strcmp(CORPS[i], "CH3") == 0 )
67	{
68	MASS[i] = 15.03e0;
69	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
70	sig = 1.0e-16 * pow( ( siga + 3.7e0 ), 2.0e0 );
71	for( j = 0; j <= NLEV-1; j++ )
72	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
73	}
74	if( strcmp(CORPS[i], "C") == 0 )
75	{
76	MASS[i] = 12.01e0;
77	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
78	sig = 1.0e-16 * pow( ( siga + 1.4e0 ), 2.0e0 );
79	for( j = 0; j <= NLEV-1; j++ )
80	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
81	}
82	if( strcmp(CORPS[i], "C2") == 0 )
83	{
84	MASS[i] = 24.02e0;
85	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
86	sig = 1.0e-16 * pow( ( siga + 3.2e0 ), 2.0e0 );
87	for( j = 0; j <= NLEV-1; j++ )
88	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
89	}
90	if( strcmp(CORPS[i], "C2H") == 0 )
91	{
92	MASS[i] = 25.03e0;
93	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
94	sig = 1.0e-16 * pow( ( siga + 3.5e0 ), 2.0e0 );
95	for( j = 0; j <= NLEV-1; j++ )
96	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
97	}
98	if( strcmp(CORPS[i], "C2H3") == 0 )
99	{
100	MASS[i] = 27.05e0;
101	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
102	sig = 1.0e-16 * pow( ( siga + 3.8e0 ), 2.0e0 );
103	for( j = 0; j <= NLEV-1; j++ )
104	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
105	}
106	if( strcmp(CORPS[i], "C2H4") == 0 )
107	{
108	MASS[i] = 28.05e0;
109	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
110	sig = 1.0e-16 * pow( ( siga + 4.163e0 ), 2.0e0 );
111	for( j = 0; j <= NLEV-1; j++ )
112	MD[i][j] = sqrt( p * TEMP[j] * m )
113	/ ( CT[j] * sig * omega(TEMP[j],epsa,224.7e0) );
114	}
115	if( strcmp(CORPS[i], "C2H2") == 0 )
116	{
117	MASS[i] = 26.04e0;
118	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
119	sig = 1.0e-16 * pow( ( siga + 4.033e0 ), 2.0e0 );
120	for( j = 0; j <= NLEV-1; j++ )
121	MD[i][j] = sqrt( p * TEMP[j] * m )
122	/ ( CT[j] * sig * omega(TEMP[j],epsa,231.8e0) );
123	}
124	if( strcmp(CORPS[i], "C2H5") == 0 )
125	{
126	MASS[i] = 29.06e0;
127	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
128	sig = 1.0e-16 * pow( ( siga + 4.0e0 ), 2.0e0 );
129	for( j = 0; j <= NLEV-1; j++ )
130	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
131	}
132	if( strcmp(CORPS[i], "C2H6") == 0 )
133	{
134	MASS[i] = 30.07e0;
135	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
136	sig = 1.0e-16 * pow( ( siga + 4.443e0 ), 2.0e0 );
137	for( j = 0; j <= NLEV-1; j++ )
138	MD[i][j] = sqrt( p * TEMP[j] * m )
139	/ ( CT[j] * sig * omega(TEMP[j],epsa,215.7e0) );
140	}
141	if( strcmp(CORPS[i], "C3H2") == 0 )
142	{
143	MASS[i] = 38.05e0;
144	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
145	sig = 1.0e-16 * pow( ( siga + 4.6e0 ), 2.0e0 );
146	for( j = 0; j <= NLEV-1; j++ )
147	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
148	}
149	if( strcmp(CORPS[i], "C3H3") == 0 )
150	{
151	MASS[i] = 39.06e0;
152	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
153	sig = 1.0e-16 * pow( ( siga + 4.7e0 ), 2.0e0 );
154	for( j = 0; j <= NLEV-1; j++ )
155	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
156	}
157	if( ( strcmp(CORPS[i], "CH2CCH2") == 0 ) \|\| ( strcmp(CORPS[i], "CH3CCH") == 0 ) )
158	{
159	MASS[i] = 40.07e0;
160	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
161	sig = 1.0e-16 * pow( ( siga + 4.761e0 ), 2.0e0 );
162	for( j = 0; j <= NLEV-1; j++ )
163	MD[i][j] = sqrt( p * TEMP[j] * m )
164	/ ( CT[j] * sig * omega(TEMP[j],epsa,251.8e0) );
165	}
166	if( strcmp(CORPS[i], "C3H5") == 0 )
167	{
168	MASS[i] = 41.07e0;
169	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
170	sig = 1.0e-16 * pow( ( siga + 4.78e0 ), 2.0e0 );
171	for( j = 0; j <= NLEV-1; j++ )
172	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
173	}
174	if( strcmp(CORPS[i], "C3H6") == 0 )
175	{
176	MASS[i] = 42.08e0;
177	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
178	sig = 1.0e-16 * pow( ( siga + 4.807e0 ), 2.0e0 );
179	for( j = 0; j <= NLEV-1; j++ )
180	MD[i][j] = sqrt( p * TEMP[j] * m )
181	/ ( CT[j] * sig * omega(TEMP[j],epsa,248.9e0) );
182	}
183	if( strcmp(CORPS[i], "C3H7") == 0 )
184	{
185	MASS[i] = 43.09e0;
186	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
187	sig = 1.0e-16 * pow( ( siga + 5.0e0 ), 2.0e0 );
188	for( j = 0; j <= NLEV-1; j++ )
189	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
190	}
191	if( strcmp(CORPS[i], "C3H8") == 0 )
192	{
193	MASS[i] = 44.11e0;
194	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
195	sig = 1.0e-16 * pow( ( siga + 5.118e0 ), 2.0e0 );
196	for( j = 0; j <= NLEV-1; j++ )
197	MD[i][j] = sqrt( p * TEMP[j] * m )
198	/ ( CT[j] * sig * omega(TEMP[j],epsa,237.1e0) );
199	}
200	if( strcmp(CORPS[i], "C4H") == 0 )
201	{
202	MASS[i] = 49.05e0;
203	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
204	sig = 1.0e-16 * pow( ( siga + 4.2e0 ), 2.0e0 );
205	for( j = 0; j <= NLEV-1; j++ )
206	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
207	}
208	if( ( strcmp(CORPS[i], "C4H2") == 0 )\|\|( strcmp(CORPS[i], "C4H2s") == 0 ) )
209	{
210	MASS[i] = 50.06e0;
211	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
212	sig = 1.0e-16 * pow( ( siga + 4.3e0 ), 2.0e0 );
213	for( j = 0; j <= NLEV-1; j++ )
214	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
215	}
216	if( strcmp(CORPS[i], "C4H3") == 0 )
217	{
218	MASS[i] = 51.07e0;
219	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
220	sig = 1.0e-16 * pow( ( siga + 4.4e0 ), 2.0e0 );
221	for( j = 0; j <= NLEV-1; j++ )
222	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
223	}
224	if( strcmp(CORPS[i], "C4H4") == 0 )
225	{
226	MASS[i] = 52.08e0;
227	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
228	sig = 1.0e-16 * pow( ( siga + 4.5e0 ), 2.0e0 );
229	for( j = 0; j <= NLEV-1; j++ )
230	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
231	}
232	if( strcmp(CORPS[i], "C4H5") == 0 )
233	{
234	MASS[i] = 53.07e0;
235	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
236	sig = 1.0e-16 * pow( ( siga + 4.5e0 ), 2.0e0 );
237	for( j = 0; j <= NLEV-1; j++ )
238	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
239	}
240	if( strcmp(CORPS[i], "C4H6") == 0 )
241	{
242	MASS[i] = 54.09e0;
243	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
244	sig = 1.0e-16 * pow( ( siga + 4.6e0 ), 2.0e0 );
245	for( j = 0; j <= NLEV-1; j++ )
246	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
247	}
248	if( strcmp(CORPS[i], "C4H10") == 0 )
249	{
250	MASS[i] = 58.13e0;
251	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
252	sig = 1.0e-16 * pow( ( siga + 4.687e0 ), 2.0e0 );
253	for( j = 0; j <= NLEV-1; j++ )
254	MD[i][j] = sqrt( p * TEMP[j] * m )
255	/ ( CT[j] * sig * omega(TEMP[j],epsa,531.4e0) );
256	}
257	if( strcmp(CORPS[i], "C6H") == 0 )
258	{
259	MASS[i] = 73.07e0;
260	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
261	sig = 1.0e-16 * pow( ( siga + 5.2e0 ), 2.0e0 );
262	for( j = 0; j <= NLEV-1; j++ )
263	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
264	}
265	if( strcmp(CORPS[i], "C6H2") == 0 )
266	{
267	MASS[i] = 74.08e0;
268	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
269	sig = 1.0e-16 * pow( ( siga + 5.4e0 ), 2.0e0 );
270	for( j = 0; j <= NLEV-1; j++ )
271	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
272	}
273	if( strcmp(CORPS[i], "C8H2") == 0 )
274	{
275	MASS[i] = 98.10e0;
276	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
277	sig = 1.0e-16 * pow( ( siga + 6.0e0 ), 2.0e0 );
278	for( j = 0; j <= NLEV-1; j++ )
279	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
280	}
281	if( strcmp( CORPS[i], "AC6H6" ) == 0 )
282	{
283	MASS[i] = 78.1136e0;
284	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
285	sig = 1.0e-16 * pow( ( siga + 5.4e0 ), 2.0e0 );
286	for( j = 0; j <= NLEV-1; j++ ) /* P. G. L. */
287	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
288	}
289	if( ( strcmp( CORPS[i], "C6H5" ) == 0 ) \|\| ( strcmp( CORPS[i], "AC6H5" ) == 0 ) )
290	{
291	MASS[i] = 77.1136e0;
292	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
293	sig = 1.0e-16 * pow( ( siga + 5.4e0 ), 2.0e0 );
294	for( j = 0; j <= NLEV-1; j++ )
295	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
296	}
297	if( strcmp( CORPS[i], "C6H6" ) == 0 )
298	{
299	MASS[i] = 78.1136e0;
300	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
301	sig = 1.0e-16 * pow( ( siga + 5.4e0 ), 2.0e0 );
302	for( j = 0; j <= NLEV-1; j++ )
303	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
304	}
305	if( strcmp(CORPS[i], "N2") == 0 )
306	{
307	MASS[i] = 28.0134e0;
308	}
309	if( strcmp(CORPS[i], "N4S") == 0 )
310	{
311	MASS[i] = 14.01e0;
312	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
313	sig = 1.0e-16 * pow( ( siga + 1.5e0 ), 2.0e0 );
314	for( j = 0; j <= NLEV-1; j++ )
315	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
316	}
317	if( strcmp(CORPS[i], "NH") == 0 )
318	{
319	MASS[i] = 15.01e0;
320	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
321	sig = 1.0e-16 * pow( ( siga + 3.0e0 ), 2.0e0 );
322	for( j = 0; j <= NLEV-1; j++ )
323	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
324	}
325	if( strcmp(CORPS[i], "CN") == 0 )
326	{
327	MASS[i] = 26.02e0;
328	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
329	sig = 1.0e-16 * pow( ( siga + 3.2e0 ), 2.0e0 );
330	for( j = 0; j <= NLEV-1; j++ )
331	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
332	}
333	if( strcmp(CORPS[i], "HCN") == 0 )
334	{
335	MASS[i] = 27.04e0;
336	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
337	sig = 1.0e-16 * pow( ( siga + 3.63e0 ), 2.0e0 );
338	for( j = 0; j <= NLEV-1; j++ )
339	MD[i][j] = sqrt( p * TEMP[j] * m )
340	/ ( CT[j] * sig * omega(TEMP[j],epsa,569.1e0) );
341	}
342	if( strcmp(CORPS[i], "H2CN") == 0 )
343	{
344	MASS[i] = 28.05e0;
345	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
346	sig = 1.0e-16 * pow( ( siga + 3.8e0 ), 2.0e0 );
347	for( j = 0; j <= NLEV-1; j++ )
348	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
349	}
350	if( strcmp(CORPS[i], "C2N") == 0 ) /* C2N */
351	{
352	MASS[i] = 39.05e0;
353	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
354	sig = 1.0e-16 * pow( ( siga + 4.0e0 ), 2.0e0 );
355	for( j = 0; j <= NLEV-1; j++ )
356	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
357	}
358	if( strcmp( CORPS[i], "CHCN" ) == 0 )
359	{
360	MASS[i] = 39.05e0;
361	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
362	sig = 1.0e-16 * pow( ( siga + 4.0e0 ), 2.0e0 );
363	for( j = 0; j <= NLEV-1; j++ )
364	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
365	}
366	if( strcmp( CORPS[i], "CH2CN" ) == 0 )
367	{
368	MASS[i] = 40.04e0;
369	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
370	sig = 1.0e-16 * pow( ( siga + 4.0e0 ), 2.0e0 );
371	for( j = 0; j <= NLEV-1; j++ )
372	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
373	}
374	if( strcmp( CORPS[i], "CH3CN" ) == 0 )
375	{
376	MASS[i] = 41.05e0;
377	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
378	sig = 1.0e-16 * pow( ( siga + 4.0e0 ), 2.0e0 );
379	for( j = 0; j <= NLEV-1; j++ )
380	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
381	}
382	if( strcmp( CORPS[i], "C2H3CN" ) == 0 )
383	{
384	MASS[i] = 53.06e0;
385	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
386	sig = 1.0e-16 * pow( ( siga + 4.0e0 ), 2.0e0 );
387	for( j = 0; j <= NLEV-1; j++ )
388	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
389	}
390	if( strcmp(CORPS[i], "NCCN") == 0 ) /* NCCN */
391	{
392	MASS[i] = 52.04e0;
393	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
394	sig = 1.0e-16 * pow( ( siga + 4.361e0 ), 2.0e0 );
395	for( j = 0; j <= NLEV-1; j++ )
396	MD[i][j] = sqrt( p * TEMP[j] * m )
397	/ ( CT[j] * sig * omega(TEMP[j],epsa,348.6e0) );
398	}
399	if( strcmp(CORPS[i], "C3N") == 0 ) /* C3N */
400	{
401	MASS[i] = 50.04e0;
402	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
403	sig = 1.0e-16 * pow( ( siga + 4.4e0 ), 2.0e0 );
404	for( j = 0; j <= NLEV-1; j++ )
405	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
406	}
407	if( strcmp(CORPS[i], "HC3N") == 0 ) /* HC3N */
408	{
409	MASS[i] = 51.05e0;
410	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
411	sig = 1.0e-16 * pow( ( siga + 4.5e0 ), 2.0e0 );
412	for( j = 0; j <= NLEV-1; j++ )
413	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
414	}
415	if( strcmp( CORPS[i], "C4N2" ) == 0 )
416	{
417	MASS[i] = 76.1e0;
418	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
419	sig = 1.0e-16 * pow( ( siga + 4.0e0 ), 2.0e0 );
420	for( j = 0; j <= NLEV-1; j++ )
421	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
422	}
423	if( strcmp(CORPS[i], "H2O") == 0 )
424	{
425	MASS[i] = 18.02e0;
426	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
427	sig = 1.0e-16 * pow( ( siga + 2.641e0 ), 2.0e0 );
428	for( j = 0; j <= NLEV-1; j++ )
429	MD[i][j] = sqrt( p * TEMP[j] * m )
430	/ ( CT[j] * sig * omega(TEMP[j],epsa,809.1e0) );
431	}
432	if( ( strcmp(CORPS[i], "O3P") == 0 ) \|\| ( strcmp(CORPS[i], "O1D") == 0 ) )
433	{
434	MASS[i] = 16.0e0;
435	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
436	sig = 1.0e-16 * pow( ( siga + 1.4e0 ), 2.0e0 );
437	for( j = 0; j <= NLEV-1; j++ )
438	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
439	}
440	if( strcmp(CORPS[i], "OH") == 0 )
441	{
442	MASS[i] = 17.01e0;
443	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
444	sig = 1.0e-16 * pow( ( siga + 3.0e0 ), 2.0e0 );
445	for( j = 0; j <= NLEV-1; j++ )
446	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
447	}
448	if( strcmp(CORPS[i], "HO2") == 0 )
449	{
450	MASS[i] = 33.01e0;
451	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
452	sig = 1.0e-16 * pow( ( siga + 3.5e0 ), 2.0e0 );
453	for( j = 0; j <= NLEV-1; j++ )
454	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
455	}
456	if( strcmp(CORPS[i], "H2O2") == 0 )
457	{
458	MASS[i] = 33.01e0;
459	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
460	sig = 1.0e-16 * pow( ( siga + 3.5e0 ), 2.0e0 );
461	for( j = 0; j <= NLEV-1; j++ )
462	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
463	}
464	if( strcmp(CORPS[i], "O2") == 0 )
465	{
466	MASS[i] = 32.0e0;
467	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
468	sig = 1.0e-16 * pow( ( siga + 3.7e0 ), 2.0e0 );
469	for( j = 0; j <= NLEV-1; j++ )
470	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
471	}
472	if( strcmp(CORPS[i], "O3") == 0 )
473	{
474	MASS[i] = 32.0e0;
475	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
476	sig = 1.0e-16 * pow( ( siga + 3.7e0 ), 2.0e0 );
477	for( j = 0; j <= NLEV-1; j++ )
478	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
479	}
480	if( strcmp(CORPS[i], "CO") == 0 )
481	{
482	MASS[i] = 28.01e0;
483	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
484	sig = 1.0e-16 * pow( ( siga + 3.69e0 ), 2.0e0 );
485	for( j = 0; j <= NLEV-1; j++ )
486	MD[i][j] = sqrt( p * TEMP[j] * m )
487	/ ( CT[j] * sig * omega(TEMP[j],epsa,91.7e0) );
488	}
489	if( strcmp(CORPS[i], "HCO") == 0 )
490	{
491	MASS[i] = 29.02e0;
492	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
493	sig = 1.0e-16 * pow( ( siga + 3.7e0 ), 2.0e0 );
494	for( j = 0; j <= NLEV-1; j++ )
495	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
496	}
497	if( strcmp(CORPS[i], "CO2") == 0 )
498	{
499	MASS[i] = 44.01e0;
500	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
501	sig = 1.0e-16 * pow( ( siga + 3.941e0 ), 2.0e0 );
502	for( j = 0; j <= NLEV-1; j++ )
503	MD[i][j] = sqrt( p * TEMP[j] * m )
504	/ ( CT[j] * sig * omega(TEMP[j],epsa,195.2e0) );
505	}
506	if( strcmp(CORPS[i], "CH2CO") == 0 )
507	{
508	MASS[i] = 42.04e0;
509	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
510	sig = 1.0e-16 * pow( ( siga + 4.5e0 ), 2.0e0 );
511	for( j = 0; j <= NLEV-1; j++ )
512	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
513	}
514	if( strcmp(CORPS[i], "CH2O") == 0 )
515	{
516	MASS[i] = 30.03e0;
517	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
518	sig = 1.0e-16 * pow( ( siga + 3.75e0 ), 2.0e0 );
519	for( j = 0; j <= NLEV-1; j++ )
520	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
521	}
522	if( ( strcmp(CORPS[i], "CH2OH") == 0 ) \|\| ( strcmp(CORPS[i], "CH3O") == 0 ) )
523	{
524	MASS[i] = 31.04e0;
525	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
526	sig = 1.0e-16 * pow( ( siga + 3.4e0 ), 2.0e0 );
527	for( j = 0; j <= NLEV-1; j++ )
528	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
529	}
530	if( strcmp(CORPS[i], "CH3OH") == 0 )
531	{
532	MASS[i] = 32.042e0;
533	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
534	sig = 1.0e-16 * pow( ( siga + 3.626e0 ), 2.0e0 );
535	for( j = 0; j <= NLEV-1; j++ )
536	MD[i][j] = sqrt( p * TEMP[j] * m )
537	/ ( CT[j] * sig * omega(TEMP[j],epsa,481.8e0) );
538	}
539	}
540	}

Note: See TracBrowser for help on using the repository browser.

Context Navigation

source: trunk/LMDZ.TITAN/libf/chimtitan/comp.c @ 3709

Download in other formats: