Context Navigation

source: trunk/LMDZ.TITAN/libf/chimtitan/comp.c @ 1242

Last change on this file since 1242 was 1126, checked in by slebonnois, 11 years ago
SL: update of Titan photochemical module to include computation of chemistry up to 1300 km
File size: 20.4 KB

Rev	Line
[3]	1	/* comp: Compounds characteristics. */
	2	/* GCCM */
	3
	4	#include "titan.h"
	5
[1126]	6	void comp_(char CORPS[][10], double CT, double TEMP,
	7	double *MASS, double MD[][NLEV])
[3]	8	{
[1126]	9	int i,j;
	10	char corps[NC+1][10];
[3]	11
[1126]	12	double m,ma,epsa,sig,siga,p;
	13
	14	p = 2.976e07; /9 10^7 R / 8 pi /
	15
	16	/* WARNING BACKGROUND GAS IS N2 */
	17
	18	ma = 28.0134e0; /* mass of background gas in g */
	19	siga = 3.798e0; /* Lennard-Jones length of background gas 1/10 nm */
	20	epsa = 71.4e0; /* Lennard-Jones energy of background gas */
	21
[3]	22	for( i = 0; i <= NC; i++)
	23	{
	24	strcpy( corps[i], CORPS[i] );
	25	corps[i][strcspn(CORPS[i], " ")] = '\0';
	26	}
	27
[1126]	28	for( i = 0; i <= NC-1; i++)
	29	{
	30	for( j = 0; j <= NLEV-1; j++ ) MD[i][j] = 0.0e0;
	31	}
	32
[3]	33	for( i = 0; i <= NC-1; i++ )
	34	{
	35	if( strcmp(corps[i], "CH4") == 0 )
	36	{
	37	MASS[i] = 16.04e0;
[1126]	38	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	39	sig = 1.0e-16 * pow( ( siga + 3.758e0 ), 2.0e0 );
	40	for( j = 0; j <= NLEV-1; j++ )
	41	MD[i][j] = sqrt( p * TEMP[j] * m )
	42	/ ( CT[j] * sig * omega(TEMP[j],epsa,148.6e0) );
[3]	43	}
	44	if( strcmp(corps[i], "H") == 0 )
	45	{
	46	MASS[i] = 1.01e0;
	47	}
	48	if( strcmp(corps[i], "H2") == 0 )
	49	{
	50	MASS[i] = 2.0158e0;
[1126]	51	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	52	sig = 1.0e-16 * pow( ( siga + 2.827e0 ), 2.0e0 );
	53	for( j = 0; j <= NLEV-1; j++ )
	54	MD[i][j] = sqrt( p * TEMP[j] * m )
	55	/ ( CT[j] * sig * omega(TEMP[j],epsa,59.7e0) );
[3]	56	}
	57	if( strcmp(corps[i], "CH") == 0 )
	58	{
	59	MASS[i] = 13.02e0;
[1126]	60	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	61	sig = 1.0e-16 * pow( ( siga + 3.0e0 ), 2.0e0 );
	62	for( j = 0; j <= NLEV-1; j++ )
	63	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	64	}
	65	if( ( strcmp( corps[i], "CH2" ) == 0 ) \|\| ( strcmp( corps[i], "CH2s" ) == 0 ) )
	66	{
	67	MASS[i] = 14.03e0;
[1126]	68	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	69	sig = 1.0e-16 * pow( ( siga + 3.4e0 ), 2.0e0 );
	70	for( j = 0; j <= NLEV-1; j++ )
	71	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	72	}
	73	if( strcmp(corps[i], "CH3") == 0 )
	74	{
	75	MASS[i] = 15.03e0;
[1126]	76	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	77	sig = 1.0e-16 * pow( ( siga + 3.7e0 ), 2.0e0 );
	78	for( j = 0; j <= NLEV-1; j++ )
	79	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	80	}
	81	if( strcmp(corps[i], "C") == 0 )
	82	{
	83	MASS[i] = 12.01e0;
[1126]	84	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	85	sig = 1.0e-16 * pow( ( siga + 1.4e0 ), 2.0e0 );
	86	for( j = 0; j <= NLEV-1; j++ )
	87	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	88	}
	89	if( strcmp(corps[i], "C2") == 0 )
	90	{
	91	MASS[i] = 24.02e0;
[1126]	92	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	93	sig = 1.0e-16 * pow( ( siga + 3.2e0 ), 2.0e0 );
	94	for( j = 0; j <= NLEV-1; j++ )
	95	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	96	}
	97	if( strcmp(corps[i], "C2H") == 0 )
	98	{
	99	MASS[i] = 25.03e0;
[1126]	100	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	101	sig = 1.0e-16 * pow( ( siga + 3.5e0 ), 2.0e0 );
	102	for( j = 0; j <= NLEV-1; j++ )
	103	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	104	}
	105	if( strcmp(corps[i], "C2H3") == 0 )
	106	{
	107	MASS[i] = 27.05e0;
[1126]	108	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	109	sig = 1.0e-16 * pow( ( siga + 3.8e0 ), 2.0e0 );
	110	for( j = 0; j <= NLEV-1; j++ )
	111	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	112	}
	113	if( strcmp(corps[i], "C2H4") == 0 )
	114	{
	115	MASS[i] = 28.05e0;
[1126]	116	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	117	sig = 1.0e-16 * pow( ( siga + 4.163e0 ), 2.0e0 );
	118	for( j = 0; j <= NLEV-1; j++ )
	119	MD[i][j] = sqrt( p * TEMP[j] * m )
	120	/ ( CT[j] * sig * omega(TEMP[j],epsa,224.7e0) );
[3]	121	}
	122	if( strcmp(corps[i], "C2H2") == 0 )
	123	{
	124	MASS[i] = 26.04e0;
[1126]	125	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	126	sig = 1.0e-16 * pow( ( siga + 4.033e0 ), 2.0e0 );
	127	for( j = 0; j <= NLEV-1; j++ )
	128	MD[i][j] = sqrt( p * TEMP[j] * m )
	129	/ ( CT[j] * sig * omega(TEMP[j],epsa,231.8e0) );
[3]	130	}
	131	if( strcmp(corps[i], "C2H5") == 0 )
	132	{
	133	MASS[i] = 29.06e0;
[1126]	134	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	135	sig = 1.0e-16 * pow( ( siga + 4.0e0 ), 2.0e0 );
	136	for( j = 0; j <= NLEV-1; j++ )
	137	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	138	}
	139	if( strcmp(corps[i], "C2H6") == 0 )
	140	{
	141	MASS[i] = 30.07e0;
[1126]	142	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	143	sig = 1.0e-16 * pow( ( siga + 4.443e0 ), 2.0e0 );
	144	for( j = 0; j <= NLEV-1; j++ )
	145	MD[i][j] = sqrt( p * TEMP[j] * m )
	146	/ ( CT[j] * sig * omega(TEMP[j],epsa,215.7e0) );
[3]	147	}
	148	if( strcmp(corps[i], "C3H2") == 0 )
	149	{
	150	MASS[i] = 38.05e0;
[1126]	151	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	152	sig = 1.0e-16 * pow( ( siga + 4.6e0 ), 2.0e0 );
	153	for( j = 0; j <= NLEV-1; j++ )
	154	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	155	}
	156	if( strcmp(corps[i], "C3H3") == 0 )
	157	{
	158	MASS[i] = 39.06e0;
[1126]	159	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	160	sig = 1.0e-16 * pow( ( siga + 4.7e0 ), 2.0e0 );
	161	for( j = 0; j <= NLEV-1; j++ )
	162	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	163	}
	164	if( ( strcmp(corps[i], "CH2CCH2") == 0 ) \|\| ( strcmp(corps[i], "CH3CCH") == 0 ) )
	165	{
	166	MASS[i] = 40.07e0;
[1126]	167	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	168	sig = 1.0e-16 * pow( ( siga + 4.761e0 ), 2.0e0 );
	169	for( j = 0; j <= NLEV-1; j++ )
	170	MD[i][j] = sqrt( p * TEMP[j] * m )
	171	/ ( CT[j] * sig * omega(TEMP[j],epsa,251.8e0) );
[3]	172	}
	173	if( strcmp(corps[i], "C3H5") == 0 )
	174	{
	175	MASS[i] = 41.07e0;
[1126]	176	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	177	sig = 1.0e-16 * pow( ( siga + 4.78e0 ), 2.0e0 );
	178	for( j = 0; j <= NLEV-1; j++ )
	179	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	180	}
	181	if( strcmp(corps[i], "C3H6") == 0 )
	182	{
	183	MASS[i] = 42.08e0;
[1126]	184	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	185	sig = 1.0e-16 * pow( ( siga + 4.807e0 ), 2.0e0 );
	186	for( j = 0; j <= NLEV-1; j++ )
	187	MD[i][j] = sqrt( p * TEMP[j] * m )
	188	/ ( CT[j] * sig * omega(TEMP[j],epsa,248.9e0) );
[3]	189	}
	190	if( strcmp(corps[i], "C3H7") == 0 )
	191	{
	192	MASS[i] = 43.09e0;
[1126]	193	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	194	sig = 1.0e-16 * pow( ( siga + 5.0e0 ), 2.0e0 );
	195	for( j = 0; j <= NLEV-1; j++ )
	196	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	197	}
	198	if( strcmp(corps[i], "C3H8") == 0 )
	199	{
	200	MASS[i] = 44.11e0;
[1126]	201	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	202	sig = 1.0e-16 * pow( ( siga + 5.118e0 ), 2.0e0 );
	203	for( j = 0; j <= NLEV-1; j++ )
	204	MD[i][j] = sqrt( p * TEMP[j] * m )
	205	/ ( CT[j] * sig * omega(TEMP[j],epsa,237.1e0) );
[3]	206	}
	207	if( strcmp(corps[i], "C4H") == 0 )
	208	{
	209	MASS[i] = 49.05e0;
[1126]	210	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	211	sig = 1.0e-16 * pow( ( siga + 4.2e0 ), 2.0e0 );
	212	for( j = 0; j <= NLEV-1; j++ )
	213	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	214	}
	215	if( ( strcmp(corps[i], "C4H2") == 0 )\|\|( strcmp(corps[i], "C4H2s") == 0 ) )
	216	{
	217	MASS[i] = 50.06e0;
[1126]	218	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	219	sig = 1.0e-16 * pow( ( siga + 4.3e0 ), 2.0e0 );
	220	for( j = 0; j <= NLEV-1; j++ )
	221	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	222	}
	223	if( strcmp(corps[i], "C4H3") == 0 )
	224	{
	225	MASS[i] = 51.07e0;
[1126]	226	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	227	sig = 1.0e-16 * pow( ( siga + 4.4e0 ), 2.0e0 );
	228	for( j = 0; j <= NLEV-1; j++ )
	229	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	230	}
	231	if( strcmp(corps[i], "C4H4") == 0 )
	232	{
	233	MASS[i] = 52.08e0;
[1126]	234	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	235	sig = 1.0e-16 * pow( ( siga + 4.5e0 ), 2.0e0 );
	236	for( j = 0; j <= NLEV-1; j++ )
	237	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	238	}
	239	if( strcmp(corps[i], "C4H5") == 0 )
	240	{
	241	MASS[i] = 53.07e0;
[1126]	242	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	243	sig = 1.0e-16 * pow( ( siga + 4.5e0 ), 2.0e0 );
	244	for( j = 0; j <= NLEV-1; j++ )
	245	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	246	}
	247	if( strcmp(corps[i], "C4H6") == 0 )
	248	{
	249	MASS[i] = 54.09e0;
[1126]	250	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	251	sig = 1.0e-16 * pow( ( siga + 4.6e0 ), 2.0e0 );
	252	for( j = 0; j <= NLEV-1; j++ )
	253	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	254	}
	255	if( strcmp(corps[i], "C4H10") == 0 )
	256	{
	257	MASS[i] = 58.13e0;
[1126]	258	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	259	sig = 1.0e-16 * pow( ( siga + 4.687e0 ), 2.0e0 );
	260	for( j = 0; j <= NLEV-1; j++ )
	261	MD[i][j] = sqrt( p * TEMP[j] * m )
	262	/ ( CT[j] * sig * omega(TEMP[j],epsa,531.4e0) );
[3]	263	}
	264	if( strcmp(corps[i], "C6H") == 0 )
	265	{
	266	MASS[i] = 73.07e0;
[1126]	267	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	268	sig = 1.0e-16 * pow( ( siga + 5.2e0 ), 2.0e0 );
	269	for( j = 0; j <= NLEV-1; j++ )
	270	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	271	}
	272	if( strcmp(corps[i], "C6H2") == 0 )
	273	{
	274	MASS[i] = 74.08e0;
[1126]	275	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	276	sig = 1.0e-16 * pow( ( siga + 5.4e0 ), 2.0e0 );
	277	for( j = 0; j <= NLEV-1; j++ )
	278	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	279	}
	280	if( strcmp(corps[i], "C8H2") == 0 )
	281	{
	282	MASS[i] = 98.10e0;
[1126]	283	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	284	sig = 1.0e-16 * pow( ( siga + 6.0e0 ), 2.0e0 );
	285	for( j = 0; j <= NLEV-1; j++ )
	286	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	287	}
	288	if( strcmp( corps[i], "AC6H6" ) == 0 )
	289	{
	290	MASS[i] = 78.1136e0;
[1126]	291	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	292	sig = 1.0e-16 * pow( ( siga + 5.4e0 ), 2.0e0 );
	293	for( j = 0; j <= NLEV-1; j++ ) /* P. G. L. */
	294	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	295	}
	296	if( ( strcmp( corps[i], "C6H5" ) == 0 ) \|\| ( strcmp( corps[i], "AC6H5" ) == 0 ) )
	297	{
	298	MASS[i] = 77.1136e0;
[1126]	299	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	300	sig = 1.0e-16 * pow( ( siga + 5.4e0 ), 2.0e0 );
	301	for( j = 0; j <= NLEV-1; j++ )
	302	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	303	}
	304	if( strcmp( corps[i], "C6H6" ) == 0 )
	305	{
	306	MASS[i] = 78.1136e0;
[1126]	307	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	308	sig = 1.0e-16 * pow( ( siga + 5.4e0 ), 2.0e0 );
	309	for( j = 0; j <= NLEV-1; j++ )
	310	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	311	}
	312	if( strcmp(corps[i], "N2") == 0 )
	313	{
	314	MASS[i] = 28.0134e0;
	315	}
	316	if( strcmp(corps[i], "N4S") == 0 )
	317	{
	318	MASS[i] = 14.01e0;
[1126]	319	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	320	sig = 1.0e-16 * pow( ( siga + 1.5e0 ), 2.0e0 );
	321	for( j = 0; j <= NLEV-1; j++ )
	322	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	323	}
	324	if( strcmp(corps[i], "NH") == 0 )
	325	{
	326	MASS[i] = 15.01e0;
[1126]	327	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	328	sig = 1.0e-16 * pow( ( siga + 3.0e0 ), 2.0e0 );
	329	for( j = 0; j <= NLEV-1; j++ )
	330	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	331	}
	332	if( strcmp(corps[i], "CN") == 0 )
	333	{
	334	MASS[i] = 26.02e0;
[1126]	335	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	336	sig = 1.0e-16 * pow( ( siga + 3.2e0 ), 2.0e0 );
	337	for( j = 0; j <= NLEV-1; j++ )
	338	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	339	}
	340	if( strcmp(corps[i], "HCN") == 0 )
	341	{
	342	MASS[i] = 27.04e0;
[1126]	343	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	344	sig = 1.0e-16 * pow( ( siga + 3.63e0 ), 2.0e0 );
	345	for( j = 0; j <= NLEV-1; j++ )
	346	MD[i][j] = sqrt( p * TEMP[j] * m )
	347	/ ( CT[j] * sig * omega(TEMP[j],epsa,569.1e0) );
[3]	348	}
	349	if( strcmp(corps[i], "H2CN") == 0 )
	350	{
	351	MASS[i] = 28.05e0;
[1126]	352	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	353	sig = 1.0e-16 * pow( ( siga + 3.8e0 ), 2.0e0 );
	354	for( j = 0; j <= NLEV-1; j++ )
	355	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	356	}
	357	if( strcmp(corps[i], "C2N") == 0 ) /* C2N */
	358	{
	359	MASS[i] = 39.05e0;
[1126]	360	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	361	sig = 1.0e-16 * pow( ( siga + 4.0e0 ), 2.0e0 );
	362	for( j = 0; j <= NLEV-1; j++ )
	363	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	364	}
	365	if( strcmp( corps[i], "CHCN" ) == 0 )
	366	{
	367	MASS[i] = 39.05e0;
[1126]	368	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	369	sig = 1.0e-16 * pow( ( siga + 4.0e0 ), 2.0e0 );
	370	for( j = 0; j <= NLEV-1; j++ )
	371	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	372	}
	373	if( strcmp( corps[i], "CH2CN" ) == 0 )
	374	{
	375	MASS[i] = 40.04e0;
[1126]	376	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	377	sig = 1.0e-16 * pow( ( siga + 4.0e0 ), 2.0e0 );
	378	for( j = 0; j <= NLEV-1; j++ )
	379	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	380	}
	381	if( strcmp( corps[i], "CH3CN" ) == 0 )
	382	{
	383	MASS[i] = 41.05e0;
[1126]	384	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	385	sig = 1.0e-16 * pow( ( siga + 4.0e0 ), 2.0e0 );
	386	for( j = 0; j <= NLEV-1; j++ )
	387	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	388	}
	389	if( strcmp( corps[i], "C2H3CN" ) == 0 )
	390	{
	391	MASS[i] = 53.06e0;
[1126]	392	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	393	sig = 1.0e-16 * pow( ( siga + 4.0e0 ), 2.0e0 );
	394	for( j = 0; j <= NLEV-1; j++ )
	395	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	396	}
	397	if( strcmp(corps[i], "NCCN") == 0 ) /* NCCN */
	398	{
	399	MASS[i] = 52.04e0;
[1126]	400	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	401	sig = 1.0e-16 * pow( ( siga + 4.361e0 ), 2.0e0 );
	402	for( j = 0; j <= NLEV-1; j++ )
	403	MD[i][j] = sqrt( p * TEMP[j] * m )
	404	/ ( CT[j] * sig * omega(TEMP[j],epsa,348.6e0) );
[3]	405	}
	406	if( strcmp(corps[i], "C3N") == 0 ) /* C3N */
	407	{
	408	MASS[i] = 50.04e0;
[1126]	409	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	410	sig = 1.0e-16 * pow( ( siga + 4.4e0 ), 2.0e0 );
	411	for( j = 0; j <= NLEV-1; j++ )
	412	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	413	}
	414	if( strcmp(corps[i], "HC3N") == 0 ) /* HC3N */
	415	{
	416	MASS[i] = 51.05e0;
[1126]	417	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	418	sig = 1.0e-16 * pow( ( siga + 4.5e0 ), 2.0e0 );
	419	for( j = 0; j <= NLEV-1; j++ )
	420	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	421	}
	422	if( strcmp( corps[i], "C4N2" ) == 0 )
	423	{
	424	MASS[i] = 76.1e0;
[1126]	425	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	426	sig = 1.0e-16 * pow( ( siga + 4.0e0 ), 2.0e0 );
	427	for( j = 0; j <= NLEV-1; j++ )
	428	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	429	}
	430	if( strcmp(corps[i], "H2O") == 0 )
	431	{
	432	MASS[i] = 18.02e0;
[1126]	433	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	434	sig = 1.0e-16 * pow( ( siga + 2.641e0 ), 2.0e0 );
	435	for( j = 0; j <= NLEV-1; j++ )
	436	MD[i][j] = sqrt( p * TEMP[j] * m )
	437	/ ( CT[j] * sig * omega(TEMP[j],epsa,809.1e0) );
[3]	438	}
	439	if( ( strcmp(corps[i], "O3P") == 0 ) \|\| ( strcmp(corps[i], "O1D") == 0 ) )
	440	{
	441	MASS[i] = 16.0e0;
[1126]	442	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	443	sig = 1.0e-16 * pow( ( siga + 1.4e0 ), 2.0e0 );
	444	for( j = 0; j <= NLEV-1; j++ )
	445	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	446	}
	447	if( strcmp(corps[i], "OH") == 0 )
	448	{
	449	MASS[i] = 17.01e0;
[1126]	450	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	451	sig = 1.0e-16 * pow( ( siga + 3.0e0 ), 2.0e0 );
	452	for( j = 0; j <= NLEV-1; j++ )
	453	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	454	}
[1126]	455	if( strcmp(corps[i], "HO2") == 0 )
	456	{
	457	MASS[i] = 33.01e0;
	458	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	459	sig = 1.0e-16 * pow( ( siga + 3.5e0 ), 2.0e0 );
	460	for( j = 0; j <= NLEV-1; j++ )
	461	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
	462	}
	463	if( strcmp(corps[i], "H2O2") == 0 )
	464	{
	465	MASS[i] = 33.01e0;
	466	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	467	sig = 1.0e-16 * pow( ( siga + 3.5e0 ), 2.0e0 );
	468	for( j = 0; j <= NLEV-1; j++ )
	469	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
	470	}
	471	if( strcmp(corps[i], "O2") == 0 )
	472	{
	473	MASS[i] = 32.0e0;
	474	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	475	sig = 1.0e-16 * pow( ( siga + 3.7e0 ), 2.0e0 );
	476	for( j = 0; j <= NLEV-1; j++ )
	477	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
	478	}
	479	if( strcmp(corps[i], "O3") == 0 )
	480	{
	481	MASS[i] = 32.0e0;
	482	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	483	sig = 1.0e-16 * pow( ( siga + 3.7e0 ), 2.0e0 );
	484	for( j = 0; j <= NLEV-1; j++ )
	485	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
	486	}
[3]	487	if( strcmp(corps[i], "CO") == 0 )
	488	{
	489	MASS[i] = 28.01e0;
[1126]	490	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	491	sig = 1.0e-16 * pow( ( siga + 3.69e0 ), 2.0e0 );
	492	for( j = 0; j <= NLEV-1; j++ )
	493	MD[i][j] = sqrt( p * TEMP[j] * m )
	494	/ ( CT[j] * sig * omega(TEMP[j],epsa,91.7e0) );
[3]	495	}
	496	if( strcmp(corps[i], "HCO") == 0 )
	497	{
	498	MASS[i] = 29.02e0;
[1126]	499	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	500	sig = 1.0e-16 * pow( ( siga + 3.7e0 ), 2.0e0 );
	501	for( j = 0; j <= NLEV-1; j++ )
	502	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	503	}
	504	if( strcmp(corps[i], "CO2") == 0 )
	505	{
	506	MASS[i] = 44.01e0;
[1126]	507	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	508	sig = 1.0e-16 * pow( ( siga + 3.941e0 ), 2.0e0 );
	509	for( j = 0; j <= NLEV-1; j++ )
	510	MD[i][j] = sqrt( p * TEMP[j] * m )
	511	/ ( CT[j] * sig * omega(TEMP[j],epsa,195.2e0) );
[3]	512	}
	513	if( strcmp(corps[i], "CH2CO") == 0 )
	514	{
	515	MASS[i] = 42.04e0;
[1126]	516	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	517	sig = 1.0e-16 * pow( ( siga + 4.5e0 ), 2.0e0 );
	518	for( j = 0; j <= NLEV-1; j++ )
	519	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	520	}
	521	if( strcmp(corps[i], "CH2O") == 0 )
	522	{
	523	MASS[i] = 30.03e0;
[1126]	524	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	525	sig = 1.0e-16 * pow( ( siga + 3.75e0 ), 2.0e0 );
	526	for( j = 0; j <= NLEV-1; j++ )
	527	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	528	}
	529	if( ( strcmp(corps[i], "CH2OH") == 0 ) \|\| ( strcmp(corps[i], "CH3O") == 0 ) )
	530	{
	531	MASS[i] = 31.04e0;
[1126]	532	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	533	sig = 1.0e-16 * pow( ( siga + 3.4e0 ), 2.0e0 );
	534	for( j = 0; j <= NLEV-1; j++ )
	535	MD[i][j] = sqrt( p * TEMP[j] * m ) / ( CT[j] * sig );
[3]	536	}
	537	if( strcmp(corps[i], "CH3OH") == 0 )
	538	{
	539	MASS[i] = 32.042e0;
[1126]	540	m = ( ma + MASS[i] ) / ( ma * MASS[i] );
	541	sig = 1.0e-16 * pow( ( siga + 3.626e0 ), 2.0e0 );
	542	for( j = 0; j <= NLEV-1; j++ )
	543	MD[i][j] = sqrt( p * TEMP[j] * m )
	544	/ ( CT[j] * sig * omega(TEMP[j],epsa,481.8e0) );
[3]	545	}
	546	}
	547	}

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

Download in other formats: