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comp.c @ 3094

Last change on this file since 3094 was 2099, checked in by jvatant, 6 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

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;
[3]	10
[1126]	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
[3]	26	for( i = 0; i <= NC-1; i++ )
	27	{
[2099]	28	if( strcmp(CORPS[i], "CH4") == 0 )
[3]	29	{
	30	MASS[i] = 16.04e0;
[1126]	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) );
[3]	36	}
[2099]	37	if( strcmp(CORPS[i], "H") == 0 )
[3]	38	{
	39	MASS[i] = 1.01e0;
	40	}
[2099]	41	if( strcmp(CORPS[i], "H2") == 0 )
[3]	42	{
	43	MASS[i] = 2.0158e0;
[1126]	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) );
[3]	49	}
[2099]	50	if( strcmp(CORPS[i], "CH") == 0 )
[3]	51	{
	52	MASS[i] = 13.02e0;
[1126]	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 );
[3]	57	}
[2099]	58	if( ( strcmp( CORPS[i], "CH2" ) == 0 ) \|\| ( strcmp( CORPS[i], "CH2s" ) == 0 ) )
[3]	59	{
	60	MASS[i] = 14.03e0;
[1126]	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 );
[3]	65	}
[2099]	66	if( strcmp(CORPS[i], "CH3") == 0 )
[3]	67	{
	68	MASS[i] = 15.03e0;
[1126]	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 );
[3]	73	}
[2099]	74	if( strcmp(CORPS[i], "C") == 0 )
[3]	75	{
	76	MASS[i] = 12.01e0;
[1126]	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 );
[3]	81	}
[2099]	82	if( strcmp(CORPS[i], "C2") == 0 )
[3]	83	{
	84	MASS[i] = 24.02e0;
[1126]	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 );
[3]	89	}
[2099]	90	if( strcmp(CORPS[i], "C2H") == 0 )
[3]	91	{
	92	MASS[i] = 25.03e0;
[1126]	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 );
[3]	97	}
[2099]	98	if( strcmp(CORPS[i], "C2H3") == 0 )
[3]	99	{
	100	MASS[i] = 27.05e0;
[1126]	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 );
[3]	105	}
[2099]	106	if( strcmp(CORPS[i], "C2H4") == 0 )
[3]	107	{
	108	MASS[i] = 28.05e0;
[1126]	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) );
[3]	114	}
[2099]	115	if( strcmp(CORPS[i], "C2H2") == 0 )
[3]	116	{
	117	MASS[i] = 26.04e0;
[1126]	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) );
[3]	123	}
[2099]	124	if( strcmp(CORPS[i], "C2H5") == 0 )
[3]	125	{
	126	MASS[i] = 29.06e0;
[1126]	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 );
[3]	131	}
[2099]	132	if( strcmp(CORPS[i], "C2H6") == 0 )
[3]	133	{
	134	MASS[i] = 30.07e0;
[1126]	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) );
[3]	140	}
[2099]	141	if( strcmp(CORPS[i], "C3H2") == 0 )
[3]	142	{
	143	MASS[i] = 38.05e0;
[1126]	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 );
[3]	148	}
[2099]	149	if( strcmp(CORPS[i], "C3H3") == 0 )
[3]	150	{
	151	MASS[i] = 39.06e0;
[1126]	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 );
[3]	156	}
[2099]	157	if( ( strcmp(CORPS[i], "CH2CCH2") == 0 ) \|\| ( strcmp(CORPS[i], "CH3CCH") == 0 ) )
[3]	158	{
	159	MASS[i] = 40.07e0;
[1126]	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) );
[3]	165	}
[2099]	166	if( strcmp(CORPS[i], "C3H5") == 0 )
[3]	167	{
	168	MASS[i] = 41.07e0;
[1126]	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 );
[3]	173	}
[2099]	174	if( strcmp(CORPS[i], "C3H6") == 0 )
[3]	175	{
	176	MASS[i] = 42.08e0;
[1126]	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) );
[3]	182	}
[2099]	183	if( strcmp(CORPS[i], "C3H7") == 0 )
[3]	184	{
	185	MASS[i] = 43.09e0;
[1126]	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 );
[3]	190	}
[2099]	191	if( strcmp(CORPS[i], "C3H8") == 0 )
[3]	192	{
	193	MASS[i] = 44.11e0;
[1126]	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) );
[3]	199	}
[2099]	200	if( strcmp(CORPS[i], "C4H") == 0 )
[3]	201	{
	202	MASS[i] = 49.05e0;
[1126]	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 );
[3]	207	}
[2099]	208	if( ( strcmp(CORPS[i], "C4H2") == 0 )\|\|( strcmp(CORPS[i], "C4H2s") == 0 ) )
[3]	209	{
	210	MASS[i] = 50.06e0;
[1126]	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 );
[3]	215	}
[2099]	216	if( strcmp(CORPS[i], "C4H3") == 0 )
[3]	217	{
	218	MASS[i] = 51.07e0;
[1126]	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 );
[3]	223	}
[2099]	224	if( strcmp(CORPS[i], "C4H4") == 0 )
[3]	225	{
	226	MASS[i] = 52.08e0;
[1126]	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 );
[3]	231	}
[2099]	232	if( strcmp(CORPS[i], "C4H5") == 0 )
[3]	233	{
	234	MASS[i] = 53.07e0;
[1126]	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 );
[3]	239	}
[2099]	240	if( strcmp(CORPS[i], "C4H6") == 0 )
[3]	241	{
	242	MASS[i] = 54.09e0;
[1126]	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 );
[3]	247	}
[2099]	248	if( strcmp(CORPS[i], "C4H10") == 0 )
[3]	249	{
	250	MASS[i] = 58.13e0;
[1126]	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) );
[3]	256	}
[2099]	257	if( strcmp(CORPS[i], "C6H") == 0 )
[3]	258	{
	259	MASS[i] = 73.07e0;
[1126]	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 );
[3]	264	}
[2099]	265	if( strcmp(CORPS[i], "C6H2") == 0 )
[3]	266	{
	267	MASS[i] = 74.08e0;
[1126]	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 );
[3]	272	}
[2099]	273	if( strcmp(CORPS[i], "C8H2") == 0 )
[3]	274	{
	275	MASS[i] = 98.10e0;
[1126]	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 );
[3]	280	}
[2099]	281	if( strcmp( CORPS[i], "AC6H6" ) == 0 )
[3]	282	{
	283	MASS[i] = 78.1136e0;
[1126]	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 );
[3]	288	}
[2099]	289	if( ( strcmp( CORPS[i], "C6H5" ) == 0 ) \|\| ( strcmp( CORPS[i], "AC6H5" ) == 0 ) )
[3]	290	{
	291	MASS[i] = 77.1136e0;
[1126]	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 );
[3]	296	}
[2099]	297	if( strcmp( CORPS[i], "C6H6" ) == 0 )
[3]	298	{
	299	MASS[i] = 78.1136e0;
[1126]	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 );
[3]	304	}
[2099]	305	if( strcmp(CORPS[i], "N2") == 0 )
[3]	306	{
	307	MASS[i] = 28.0134e0;
	308	}
[2099]	309	if( strcmp(CORPS[i], "N4S") == 0 )
[3]	310	{
	311	MASS[i] = 14.01e0;
[1126]	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 );
[3]	316	}
[2099]	317	if( strcmp(CORPS[i], "NH") == 0 )
[3]	318	{
	319	MASS[i] = 15.01e0;
[1126]	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 );
[3]	324	}
[2099]	325	if( strcmp(CORPS[i], "CN") == 0 )
[3]	326	{
	327	MASS[i] = 26.02e0;
[1126]	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 );
[3]	332	}
[2099]	333	if( strcmp(CORPS[i], "HCN") == 0 )
[3]	334	{
	335	MASS[i] = 27.04e0;
[1126]	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) );
[3]	341	}
[2099]	342	if( strcmp(CORPS[i], "H2CN") == 0 )
[3]	343	{
	344	MASS[i] = 28.05e0;
[1126]	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 );
[3]	349	}
[2099]	350	if( strcmp(CORPS[i], "C2N") == 0 ) /* C2N */
[3]	351	{
	352	MASS[i] = 39.05e0;
[1126]	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 );
[3]	357	}
[2099]	358	if( strcmp( CORPS[i], "CHCN" ) == 0 )
[3]	359	{
	360	MASS[i] = 39.05e0;
[1126]	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 );
[3]	365	}
[2099]	366	if( strcmp( CORPS[i], "CH2CN" ) == 0 )
[3]	367	{
	368	MASS[i] = 40.04e0;
[1126]	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 );
[3]	373	}
[2099]	374	if( strcmp( CORPS[i], "CH3CN" ) == 0 )
[3]	375	{
	376	MASS[i] = 41.05e0;
[1126]	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 );
[3]	381	}
[2099]	382	if( strcmp( CORPS[i], "C2H3CN" ) == 0 )
[3]	383	{
	384	MASS[i] = 53.06e0;
[1126]	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 );
[3]	389	}
[2099]	390	if( strcmp(CORPS[i], "NCCN") == 0 ) /* NCCN */
[3]	391	{
	392	MASS[i] = 52.04e0;
[1126]	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) );
[3]	398	}
[2099]	399	if( strcmp(CORPS[i], "C3N") == 0 ) /* C3N */
[3]	400	{
	401	MASS[i] = 50.04e0;
[1126]	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 );
[3]	406	}
[2099]	407	if( strcmp(CORPS[i], "HC3N") == 0 ) /* HC3N */
[3]	408	{
	409	MASS[i] = 51.05e0;
[1126]	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 );
[3]	414	}
[2099]	415	if( strcmp( CORPS[i], "C4N2" ) == 0 )
[3]	416	{
	417	MASS[i] = 76.1e0;
[1126]	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 );
[3]	422	}
[2099]	423	if( strcmp(CORPS[i], "H2O") == 0 )
[3]	424	{
	425	MASS[i] = 18.02e0;
[1126]	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) );
[3]	431	}
[2099]	432	if( ( strcmp(CORPS[i], "O3P") == 0 ) \|\| ( strcmp(CORPS[i], "O1D") == 0 ) )
[3]	433	{
	434	MASS[i] = 16.0e0;
[1126]	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 );
[3]	439	}
[2099]	440	if( strcmp(CORPS[i], "OH") == 0 )
[3]	441	{
	442	MASS[i] = 17.01e0;
[1126]	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 );
[3]	447	}
[2099]	448	if( strcmp(CORPS[i], "HO2") == 0 )
[1126]	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	}
[2099]	456	if( strcmp(CORPS[i], "H2O2") == 0 )
[1126]	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	}
[2099]	464	if( strcmp(CORPS[i], "O2") == 0 )
[1126]	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	}
[2099]	472	if( strcmp(CORPS[i], "O3") == 0 )
[1126]	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	}
[2099]	480	if( strcmp(CORPS[i], "CO") == 0 )
[3]	481	{
	482	MASS[i] = 28.01e0;
[1126]	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) );
[3]	488	}
[2099]	489	if( strcmp(CORPS[i], "HCO") == 0 )
[3]	490	{
	491	MASS[i] = 29.02e0;
[1126]	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 );
[3]	496	}
[2099]	497	if( strcmp(CORPS[i], "CO2") == 0 )
[3]	498	{
	499	MASS[i] = 44.01e0;
[1126]	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) );
[3]	505	}
[2099]	506	if( strcmp(CORPS[i], "CH2CO") == 0 )
[3]	507	{
	508	MASS[i] = 42.04e0;
[1126]	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 );
[3]	513	}
[2099]	514	if( strcmp(CORPS[i], "CH2O") == 0 )
[3]	515	{
	516	MASS[i] = 30.03e0;
[1126]	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 );
[3]	521	}
[2099]	522	if( ( strcmp(CORPS[i], "CH2OH") == 0 ) \|\| ( strcmp(CORPS[i], "CH3O") == 0 ) )
[3]	523	{
	524	MASS[i] = 31.04e0;
[1126]	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 );
[3]	529	}
[2099]	530	if( strcmp(CORPS[i], "CH3OH") == 0 )
[3]	531	{
	532	MASS[i] = 32.042e0;
[1126]	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) );
[3]	538	}
	539	}
	540	}

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source: trunk/LMDZ.TITAN/libf/chimtitan/comp.c @ 3094

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