forked from rwharvey/cql3d
-
Notifications
You must be signed in to change notification settings - Fork 2
/
adcei.f
578 lines (563 loc) · 19.3 KB
/
adcei.f
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
SUBROUTINE ADCECI(PTE, PNE)
C
C*********************************************************************
C CALCULATE THE ELECTRON COLLISIONAL IONIZATION RATE USING
C THE FORMULAS SELECTED BY THE LECI SWITCH. LECIOK RETURNS
C THE RATE FORMULAS ACTUALLY USED, WHICH MAY DIFFER FROM
C LECI IF LECI WAS SET INAPPROPRIATELY FOR THE GIVEN ELEMENT.
C*********************************************************************
C
IMPLICIT REAL*8 (A-H,O-Z)
IMPLICIT INTEGER (I-N)
COMMON / ADSDAT / NUCZ, NSPC, APN(100,10), AQN(100,10),
& NVALNC(100), SIGMA(10,10), QN(100,10),
& EN(100,10), EIN(100,5), ENM(100,5,10),
& FNM(100,5,10), FNN(100), ENN(100)
C
COMMON / ADELEC / RCLION(100), RRAREC(100), RDIREC(100),
& CIZLOS(100), RADRRC(100), RADDRC(100),
& RADCLX(100), RADBRM(100), TOTREC(100),
& TOTRAD(100)
C
COMMON / ADPARM / LADEN, LADTIP, LTIPOK, LECI, LECIOK
C
EXTERNAL ADCXECI,ADCBFI,ADCYGR
C
C ILMAX = CURRENT MAXIMUM NUMBER OF RATE OPTIONS
C
ILMAX = 3
C
C CHECK FOR VALID LECI; RETURN LECI = 1 OPTION IF NOT VALID
C
IF(LECI .LT. 1 .OR. LECI .GT. ILMAX) GO TO 10
C
GO TO (10, 20, 30) LECI
C
C LECI = 1; USE XSNQ DERIVED IONIZATION RATE CALCULATION
C
10 CALL ADCXECI(PTE, PNE)
LECIOK = 1
RETURN
C
C LECI = 2; USE BELFAST GROUP LIGHT ELEMENT RATE FITS
C
20 CALL ADCBFI(NUCZ, PTE, PNE, RCLION, CIZLOS, IFLAG)
IF(IFLAG .NE. 0) GO TO 10
LECIOK = 2
RETURN
C
C LECI = 3; USE YOUNGER'S RATES FOR AVAILABLE ELEMENTS AND SHELLS,
C XSNQ RATES OTHERWISE ON A CHARGE STATE-BY-CHARGE STATE
C BASIS
C
30 CALL ADCXECI(PTE, PNE)
CALL ADCYGR(NUCZ, PTE, PNE, RCLION, CIZLOS, IFLAG)
LECIOK = 3
IF(IFLAG .NE. 0) LECIOK = 1
RETURN
END
SUBROUTINE ADCXECI(PTE, PNE)
C
C
C***********************************************************************
C REV: 6/15/78
C
C COMPUTES THE XSNQ-DERIVED COLLISIONAL IONIZATION RATES RCLION
C AT THE ELECTRON TEMPERATURE PTE (KEV), WHERE JQ=(IONIC CHARGE+1).
C THESE RATES HAVE THE UNITS (SEC-1).
C
C NOTES:
C
C 1) ELECTRONS ARE ASSUMED TO FILL IONIC SHELLS IN SIMPLE ASCENDING
C ORDER. THIS IS ASSUMED BOTH EXPLICITLY (THE APN ARRAY)
C AS WELL AS IMPLICITLY THROUGH THE USE OF NVALNC VALUES
C IN LOOP INDICES, ETC.
C 2) THROUGH USE OF THE FUNCTION EXPUND, EXP(X) IS SET EQUAL TO
C ZERO IN THE RATE EQUATIONS FOR VALUES OF X < -45.
C 3) RATES FOR THE SPECIES JQ REFER TO TRANSFORMATIONS OF
C THAT SPECIES INTO ADJACENT IONIZATION STATES, NOT THE
C RATES AT WHICH THAT SPECIES IS FORMED.
C
C
C PRINCIPAL PHYSICS REFERENCES:
C
C 1) POST, JENSEN, TARTER, GRASBERGER, LOKKE, 'STEADY STATE
C RADIATIVE COOLING RATES FOR LOW-DENSITY HIGH-TEMPERATURE
C PLASMAS', PPPL-1352 (SUB. TO N.F.) (WITH CORRECTIONS)
C 2) LOKKE AND GRASBERGER, 'XSNQ-U A NON-LTE EMISSION AND
C ABSORPTION COEFFICIENT SUBROUTINE', LLL REPORT UCRL-52276
C (WITH CORRECTIONS).
C 3) XSNQ FORTRAN LISTING
C
C*************************************************************************
C
C
IMPLICIT REAL*8 (A-H,O-Z)
IMPLICIT INTEGER (I-N)
CMPIINSERT_INCLUDE
C
COMMON / ADSDAT / NUCZ, NSPC, APN(100,10), AQN(100,10),
& NVALNC(100), SIGMA(10,10), QN(100,10),
& EN(100,10), EIN(100,5), ENM(100,5,10),
& FNM(100,5,10), FNN(100), ENN(100)
C
COMMON / ADELEC / RCLION(100), RRAREC(100), RDIREC(100),
& CIZLOS(100), RADRRC(100), RADDRC(100),
& RADCLX(100), RADBRM(100), TOTREC(100),
& TOTRAD(100)
C
EXTERNAL ADCEUND
C
ZJLKEV = 1.6021E-16
C
C
ZTE = PTE
C
DO 100 JQ = 1 , NUCZ
C
ZCHG = DBLE(JQ - 1)
IVALNC = NVALNC(JQ)
C
C
C
C ******************** IONIZATION RATE ********************
C
C
C CALCULATE ELECTRON COLLISIONAL IONIZATION RATES PER SHELL
C AND SUM FOR ALL POPULATED SHELLS. ALSO COMPUTE
C IONIZATION ENERGY LOSS RATE CIZLOS.
C
ZISUM = 0.d0 !0.
ZESUM = 0.d0 !0.0
C
DO 20 JN = 1 , IVALNC
ZJN = JN
ZXN = EIN(JQ,JN)/ZTE
C
ZY = DLOG10(ZXN/4.)
ZFY = .23 + .046 * ZY + .1074 * ZY**2
& - .0459 * ZY**3 - .01505 * ZY**4
ZGAUNT = 12.18 * DEXP(-ZJN / (ZJN+5.)) * (1. + .0335*ZJN)
& * (1. - .622/(ZCHG+1.) - .0745/(ZCHG+1.)**2)
& * DABS(ZFY)
ZITEMP = APN(JQ,JN) * ADCEUND(-ZXN,-45.d0) *
& (1.-ADCEUND(-ZXN,-45.d0)) * ZGAUNT / EIN(JQ,JN)**2
!YuP[2020-11-16] Fixed BUG: Cannot use 45. in ADCEUND(-ZXN,-45.)
!The argument should be real*8 !!!
ZISUM = ZISUM + ZITEMP
ZESUM = ZESUM + EIN(JQ,JN) * ZITEMP
20 CONTINUE
C
ZISUM = ZISUM * DSQRT(ZTE)
ZESUM = ZESUM * DSQRT(ZTE)
IF(ZISUM .LT. 1.d-26) ZISUM = 0.d0 !0.
IF(ZESUM .LT. 1.d-26) ZESUM = 0.d0 !0.0
RCLION(JQ) = (PNE*3.44E-11) * ZISUM
CIZLOS(JQ) = (PNE*3.44E-11) * ZJLKEV * ZESUM
C
C
100 CONTINUE
!--CMPIINSERT_IF_RANK_EQ_0
! WRITE(*,*)' ADCXECI: RCLION(1:3)=',RCLION(1:3)
! WRITE(*,*)' ADCXECI: PNE,ZISUM=',PNE,ZISUM
!--CMPIINSERT_ENDIF_RANK
C
C
RCLION(NUCZ + 1) = 0.
CIZLOS(NUCZ + 1) = 0.0
C
C
RETURN
END SUBROUTINE ADCXECI
SUBROUTINE ADCBFI(KNUCZ, PTE, PNE, PBFI, PBFIL, KFLAG)
C
C*********************************************************************
C CALCULATE THE ELECTRON COLLISIONAL IONIZATION RATE COEFFICIENTS
C USING FITTING FORMULAS FROM THE BELFAST GROUP, CULHAM
C REPORT CLM-R216 (DECEMBER 1981):
C
C ATOMIC AND MOLECULAR DATA FOR FUSION, PART I
C
C RECOMMENDED CROSS SECTIONS AND RATES FOR ELECTRON
C IONISATION OF LIGHT ATOMS AND IONS
C
C K L BELL, H B GILBODY, J G HUGHES, A E KINGSTON, F J SMITH
C THE QUEEN'S UNIVERSITY OF BELFAST, BELFAST, N IRELAND
C
C KNUCZ = ELEMENT ATOMIC NUMBER ( Z=1 TO Z=8 ONLY)
C PTE = ELECTRON TEMPERATURE (KEV)
C PNE = ELECTRON DENSITY (CM-3)
C
C PBFI = IONIZATION RATES FOR THE Z+1 CHARGE STATES (SEC-1)
C PBFIL = ARRAY OF IONIZATION ENERGY LOSS RATES (WATTS/ION)
C KFLAG = 0 FOR O.K., = 1 FOR INVALID ELEMENT
C
C**********************************************************************
C
IMPLICIT REAL*8 (A-H,O-Z)
IMPLICIT INTEGER (I-N)
C
COMMON / COMBFI / EH(1), AH(6,1), AAH(1), BTH(3,1),
& EHE(2), AHE(6,2), AAHE(2), BTHE(3,2),
& ELI(3), ALI(6,3), AALI(3), BTLI(3,3),
& EBE(4), ABE(6,4), AABE(4), BTBE(3,4),
& EB(5), AB(6,5), AAB(5), BTB(3,5),
& EC(6), AC(6,6), AAC(6), BTC(3,6),
& EN(7), AN(6,7), AAN(7), BTN(3,7),
& EO(8), AO(6,8), AAO(8), BTO(3,8)
C
C
DIMENSION PBFI(*), PBFIL(*)
C
C
C HYDROGEN
C
DATA EH / 13.60 /
DATA AH / 2.3742E-8, -3.6866E-9, -1.0366E-8,
& -3.8010E-9, 3.4159E-9, 1.6834E-9 /
DATA AAH / 2.4617E-8 /
DATA BTH / 9.5986E-8, -9.2463E-7, 3.9973E-6 /
C
C HELIUM
C
DATA EHE / 24.6, 54.42 /
DATA AHE / 1.4999E-8, 5.6656E-10, -6.0821E-9,
1 -3.5894E-9, 1.5529E-9, 1.3207E-9,
2 3.4356E-9, -1.6865E-9, -6.9236E-10,
2 9.7863E-11, 1.5591E-10, 6.2236E-11 /
DATA AAHE / 3.1373E-8, 3.0772E-9 /
DATA BTHE / 4.7893E-8, -7.7359E-7, 3.7366E-6,
2 1.1902E-8, -1.1514E-7, 5.0489E-7 /
C
C LITHIUM
C
DATA ELI / 5.39, 75.64, 122.45 /
DATA ALI / 9.9655E-8, -5.5941E-8, -5.5228E-8,
1 4.0589E-8, 1.4800E-8, -1.3120E-8,
2 3.4023E-9, -7.6588E-10, -8.6078E-10,
2 -8.9748E-10, 4.1661E-10, 3.3188E-10,
3 1.1786E-9, -8.7637E-10, -9.3373E-11,
3 2.1137E-10, 1.9017E-11, -4.0679E-11 /
DATA AALI / 4.5456E-8, 7.3504E-9, 1.9767E-9 /
DATA BTLI / 2.7800E-7, -1.5830E-6, 5.4650E-6,
2 5.3459E-10, -5.6387E-8, 2.9577E-7,
3 -1.0926E-9, 8.8700E-10, 6.0764E-9 /
C
C BERYLLIUM
C
DATA EBE / 9.32, 18.21, 153.89, 217.71 /
DATA ABE / 7.4206E-8, -1.5520E-8, -3.9403E-8,
1 7.2155E-9, 1.1098E-8, -2.5501E-9,
2 1.7136E-8, -1.3997E-8, -2.9656E-11,
2 3.0777E-9, -1.1676E-10, -5.1930E-10,
3 1.6039E-9, -6.4336E-10, -7.7804E-10,
3 3.3527E-10, 2.1889E-10, -1.0600E-10,
4 4.9587E-10, -3.6870E-10, -3.9284E-11,
4 8.8928E-11, 8.0007E-12, -1.7114E-11 /
DATA AABE / 2.1732E-7, 2.7494E-8, 2.7873E-9, 8.3163E-10 /
DATA BTBE / -2.1649E-7, 2.8120E-7, 5.3031E-7,
2 -1.5900E-8, 2.5911E-8, 2.4061E-8,
3 -2.4333E-10, -9.7973E-9, 5.2094E-8,
4 -4.5966E-10, 3.7317E-10, 2.5564E-9 /
C
C BORON
C
DATA EB / 8.3, 25.15, 37.93, 259.37, 340.22 /
DATA AB / 5.8365E-8, 1.0047E-8, -3.6230E-8,
1 -7.3448E-9, 1.0220E-8, 1.6951E-9,
2 2.0590E-8, -9.8899E-9, -6.0949E-9,
2 2.7762E-9, 1.6499E-9, -6.7692E-10,
3 5.7023E-9, -4.6578E-9, -9.8688E-12,
3 1.0242E-9, -3.8855E-11, -1.7281E-10,
4 7.3539E-10, -2.9498E-10, -3.5672E-10,
4 1.5372E-10, 1.0036E-10, -4.8602E-11,
5 2.5458E-10, -1.8930E-10, -2.0169E-11,
5 4.5657E-11, 4.1076E-12, -8.7867E-12 /
DATA AAB / 3.0952E-7, 4.7980E-8, 9.1493E-9, 1.2780E-9,
& 4.2697E-10 /
DATA BTB / -4.9240E-7, 1.3750E-6, -2.5387E-6,
2 -4.1361E-8, 5.5259E-8, 9.9841E-8,
3 -5.2910E-9, 8.6226E-9, 8.0067E-9,
4 -1.1156E-10, -4.4920E-9, 2.3885E-8,
5 -2.3600E-10, 1.9159E-10, 1.3125E-9 /
C
C CARBON
C
DATA EC / 11.26, 24.38, 47.89, 64.49, 392.08, 489.98 /
DATA AC / 5.9848E-8, 1.1903E-8, -3.0140E-8,
1 -1.3693E-8, 8.3748E-9, 4.0150E-9,
2 2.8395E-8, -1.6698E-8, -2.3557E-9,
2 3.2161E-10, 9.6016E-10, 5.2713E-10,
3 9.0555E-9, -6.3206E-9, -1.3256E-9,
3 1.7441E-9, 3.2680E-10, -3.8303E-10,
4 2.7464E-9, -2.0070E-9, -2.3595E-11,
4 4.2011E-10, -8.1600E-11, -3.9729E-11,
5 3.9495E-10, -1.5842E-10, -1.9158E-10,
5 8.2555E-11, 5.3899E-11, -2.6102E-11,
6 1.4715E-10, -1.0941E-10, -1.1657E-11,
6 2.6389E-11, 2.3742E-12, -5.0786E-12 /
DATA AAC / 3.7442E-7, 6.0150E-8, 1.4501E-8,
& 6.0330E-9, 6.8634E-10, 2.4679E-10 /
DATA BTC / -6.5826E-7, 2.0521E-6, -4.4694E-6,
2 -4.0217E-8, -2.7908E-8, 5.5499E-7,
3 -5.3596E-9, -1.0473E-8, 1.0629E-7,
4 -5.7710E-9, 9.9302E-9, 7.4462E-9,
5 -5.9916E-11, -2.4124E-9, 1.2828E-8,
6 -1.3640E-10, 1.1074E-10, 7.5862E-10 /
C
C NITROGEN
C
DATA EN / 14.53, 29.60, 47.45, 77.47, 97.89, 552.06, 667.03 /
DATA AN / 4.6209E-8, 9.2264E-9, -1.2092E-8,
1 -2.4852E-8, 5.1361E-9, 8.3068E-9,
2 2.4369E-8, -2.2155E-9, -1.4805E-8,
2 -4.4218E-10, 4.5211E-9, 1.7874E-10,
3 1.2964E-8, -8.3408E-9, -2.3684E-9,
3 2.2485E-9, 2.6234E-10, -2.6333E-10,
4 4.6322E-9, -3.4645E-9, -3.1014E-10,
4 8.0576E-10, 5.7791E-11, -1.4907E-10,
5 1.5862E-9, -9.8633E-10, 7.5130E-11,
5 3.1005E-11, -8.1970E-12, 2.6759E-11,
6 2.3635E-10, -9.4805E-11, -1.1465E-10,
6 4.9404E-11, 3.2255E-11, -1.5620E-11,
7 9.2653E-11, -6.8892E-11, -7.3402E-12,
7 1.6616E-11, 1.4949E-12, -3.1978E-12 /
DATA AAN / 2.7367E-7, 4.4690E-8, 1.0243E-8,
& 7.9743E-9, 5.7812E-9, 4.1073E-10,
& 1.5539E-10 /
DATA BTN / -4.2976E-7, 9.8352E-7, -9.5745E-7,
2 3.0430E-8, -5.2696E-7, 2.4863E-6,
3 3.4218E-8, -2.9155E-7, 1.2324E-6,
4 -4.9184E-9, 6.3763E-9, 1.4917E-8,
5 -8.5163E-9, 1.8527E-8, -7.8181E-9,
6 -3.5856E-11, -1.4437E-9, 7.6765E-9,
7 -8.5888E-11, 6.9728E-11, 4.7767E-10 /
C
C OXYGEN
C
DATA EO / 13.62, 35.12, 54.93, 77.41, 113.90, 138.12, 739.32,
& 871.39 /
DATA AO / 3.3559E-8, 1.3449E-8, -6.7112E-9,
1 -1.9976E-8, 1.6214E-9, 6.5852E-9,
2 2.4476E-8, -5.3141E-9, -7.3316E-9,
2 -4.4515E-9, 2.4257E-9, 1.9791E-9,
3 1.4741E-8, -8.7905E-9, -8.6099E-10,
3 -2.4143E-10, 1.2598E-10, 6.4901E-10,
4 6.2130E-9, -2.5047E-9, -3.0813E-9,
4 1.3559E-9, 8.6816E-10, -4.3189E-10,
5 2.6145E-9, -2.0276E-9, -1.6569E-10,
5 5.0245E-10, 3.0067E-11, -9.8231E-11,
6 1.0099E-9, -6.5165E-10, 2.8863E-12,
6 3.0336E-11, -1.4065E-11, 4.5106E-12,
7 1.5258E-10, -6.1203E-11, -7.4014E-11,
7 3.1894E-11, 2.0823E-11, -1.0084E-11,
8 6.2090E-11, -4.6167E-11, -4.9189E-12,
8 1.1135E-11, 1.0018E-12, -2.1430E-12 /
DATA AAO / 3.2721E-7, 4.9003E-8, 1.7523E-8,
& 1.0270E-8, 4.0023E-9, 2.6228E-9,
& 2.6516E-10, 1.0413E-10 /
DATA BTO / -6.7484E-7, 2.3938E-6, -6.04388E-6,
2 2.1747E-8, -5.4612E-7, 2.7213E-6,
3 2.8129E-8, -3.1692E-7, 1.4381E-6,
4 4.8134E-10, -4.3936E-8, 2.1924E-7,
5 -1.5957E-9, -7.2485E-10, 1.9724E-8,
6 -2.6662E-9, 2.8968E-9, 1.7246E-8,
7 -2.3148E-11, -9.3201E-10, 4.9557E-9,
8 -5.7557E-11, 4.6727E-11, 3.2010E-10 /
C
C
INSPC = KNUCZ + 1
C
DO 3 JSPC = 1, INSPC
PBFI(JSPC) = 0.0
PBFIL(JSPC) = 0.0
3 CONTINUE
C
KFLAG = 0
C
C ERROR EXIT IF ELEMENT NOT AVAILABLE
C
IF(KNUCZ .GE. 1 .AND. KNUCZ .LE. 8) GO TO 5
KFLAG = 1
RETURN
C
C BRANCH ON ELEMENT TO CALL FIT EVALUATION ROUTINE WITH PROPER
C CONSTANTS
C
5 GO TO (10, 20, 30, 40, 50, 60, 70, 80) KNUCZ
C
10 CALL ADCBFIT(KNUCZ, PTE, PNE, EH, AH, AAH, BTH, PBFI, PBFIL)
RETURN
20 CALL ADCBFIT(KNUCZ, PTE, PNE, EHE, AHE, AAHE, BTHE, PBFI,PBFIL)
RETURN
30 CALL ADCBFIT(KNUCZ, PTE, PNE, ELI, ALI, AALI, BTLI, PBFI,PBFIL)
RETURN
40 CALL ADCBFIT(KNUCZ, PTE, PNE, EBE, ABE, AABE, BTBE, PBFI,PBFIL)
RETURN
50 CALL ADCBFIT(KNUCZ, PTE, PNE, EB, AB, AAB, BTB, PBFI, PBFIL)
RETURN
60 CALL ADCBFIT(KNUCZ, PTE, PNE, EC, AC, AAC, BTC, PBFI, PBFIL)
RETURN
70 CALL ADCBFIT(KNUCZ, PTE, PNE, EN, AN, AAN, BTN, PBFI, PBFIL)
RETURN
80 CALL ADCBFIT(KNUCZ, PTE, PNE, EO, AO, AAO, BTO, PBFI, PBFIL)
RETURN
END
SUBROUTINE ADCBFIT(KNUCZ, PTE, PNE, PE, PA, PAA,
1 PBT, PBFI, PBFIL)
C
C*******************************************************************
C EVALUATE THE BELFAST GROUP RATE COEFFICIENT FITTING FORMULAS.
C NOTE THAT 0 IS RETURNED FOR TE < (IONIZATION POTENTIAL / 10).
C*******************************************************************
C
IMPLICIT REAL*8 (A-H,O-Z)
IMPLICIT INTEGER (I-N)
C
DIMENSION PE(KNUCZ), PA(6,KNUCZ), PAA(KNUCZ), PBT(3,KNUCZ)
DIMENSION PBFI(1), PBFIL(1)
C
ZJLEV = 1.6021E-19
C
C CONVERT TE TO EV AND ZERO RETURN ARRAYS
C
ZTE = 1000.0 * PTE
C
INSPC = KNUCZ + 1
DO 10 JSPC = 1, INSPC
PBFI(JSPC) = 0.0
PBFIL(JSPC) = 0.0
10 CONTINUE
C
C LOOP OVER ALL SPECIES EXCEPT FULLY STRIPPED
C
DO 100 JSPC = 1, KNUCZ
C
C RATE IS ZERO FOR KT < (IP/10)
C
IF(ZTE .LT. PE(JSPC)/10.0) GO TO 100
C
C BRANCH IF HIGH TEMPERATURE FIT IS REQUIRED
C
IF(ZTE .GT. 10.0 * PE(JSPC)) GO TO 80
C
C (IP/10) < TE < (10*IP) FITTING FORM
C
ZX = PE(JSPC) / ZTE
ZLOG = DLOG10(1.0 / ZX)
C
ZSUM = PA(1,JSPC)
DO 20 J = 2, 6
ZSUM = ZSUM + PA(J,JSPC) * (ZLOG**(J-1))
20 CONTINUE
C
ZIRC = DEXP(-ZX) * DSQRT(1.0 / ZX) * ZSUM
PBFI(JSPC) = PNE * ZIRC
PBFIL(JSPC) = ZJLEV * PE(JSPC) * PBFI(JSPC)
GO TO 100
C
C HIGH TEMPERATURE FIT FOR TE > 10*IP
C
80 ZX = PE(JSPC) / ZTE
C
ZIRC = DSQRT(ZX) * (PAA(JSPC) * DLOG(1.0/ZX)
& + PBT(1,JSPC) + PBT(2,JSPC) * ZX + PBT(3,JSPC) * ZX * ZX)
C
PBFI(JSPC) = PNE * ZIRC
PBFIL(JSPC) = ZJLEV * PE(JSPC) * PBFI(JSPC)
C
100 CONTINUE
C
RETURN
END
SUBROUTINE ADCYGR(KNUCZ, PTE, PNE, PYGRI, PYGRL, KFLAG)
C
C*****************************************************************
C COMPUTE DIRECT ELECTRON IONIZATION RATES FOR HYDROGEN-LIKE
C THROUGH NEON-LIKE CHARGE STATES OF CERTAIN HEAVY ELEMENTS
C (PRESENTLY SCANDIUM AND IRON). USES FORMULAE DUE TO
C S. YOUNGER, NBS. (JQSRT 29, 61 (1983) AND PRIVATE
C COMMUNICATIONS).
C
C KNUCZ= ELEMENT (Z=21 OR 26 FOR NOW)
C PTE = ELECTRON TEMPERATURE(KEV)
C PNE = ELECTRON DENSITY (CM-3)
C
C PYGRI = ARRAY OF IONIZATION RATES (SEC-1)
C (ONLY THE 10 STATES FROM H-LIKE TO NE-LIKE WILL BE
C OVERWRITTEN BY THE SUBROUTINE)
C PYGRL = ARRAY OF IONIZATION ENERGY LOSS RATES (WATTS/ION)
C KFLAG = 0 FOR O.K.;
C = 1 FOR INVALID ELEMENT (NO VALUES ARE RETURNED)
C******************************************************************
C
IMPLICIT REAL*8 (A-H,O-Z)
IMPLICIT INTEGER (I-N)
C
COMMON / COMYGR / EION(10,3), EIONFE(10,3), EIONSC(10,3),
& NSS(10,3), RATE(10,3),
& CA(3), CB(3), CC(3), CD(3)
C
DIMENSION PYGRI(1), PYGRL(1)
C
EXTERNAL ADCFCHI
C
DATA ((NSS(JBE,JSS),JBE=1,10),JSS=1,3)/ 1,9*2,0,0,1,7*2,
& 4*0,1,2,3,4,5,6/
C
DATA (CA(J),J=1,3)/7.5E-14, 5.9E-14, 8.4E-14/
DATA (CB(J), J=1,3)/ -2.605E-14, -1.635E-14, -2.68E-14/
DATA (CC(J), J=1,3)/ 1.195E-14, 0.82E-14, 0.672E-14/
DATA (CD(J), J=1,3)/ -6.15E-14, -3.79E-14, -5.08E-14/
C
DATA ((EIONSC(JBE,JSS),JBE=1,10),JSS=1,3)/ 6034., 5675.,
& 5566., 5491., 5318., 5204., 5095., 4990., 4890., 4794.,
& 0., 0., 1288., 1213., 1135., 1068., 993.3,
& 914.0, 846.3, 769.3, 4*0., 1090., 1004., 922.4,
& 838.6, 761.8, 687.4 /
C
DATA ((EIONFE(JBE,JSS),JBE=1,10),JSS=1,3)/ 9277., 8829.,
& 8694., 8521., 8400., 8263., 8118., 7949., 7818., 7824.,
& 0., 0., 2046., 1950., 1852., 1755., 1679., 1566., 1482.,
& 1394., 4*0., 1789., 1678., 1583., 1463., 1366., 1266./
C
C
C
TEV = 1000. * PTE
C
EION(1,1) = 0.0
DO 20 JSS = 1, 3
DO 20 JBE = 1, 10
IF(KNUCZ .EQ. 21) EION(JBE,JSS) = EIONSC(JBE,JSS)
IF(KNUCZ .EQ. 26) EION(JBE,JSS) = EIONFE(JBE,JSS)
20 CONTINUE
C
KFLAG = 0
IF(EION(1,1) .NE. 0.0)GO TO 50
KFLAG = 1
RETURN
C
50 DO 100 JBE = 1, 10
ICS = KNUCZ - JBE +1
PYGRI(ICS) = 0.0
PYGRL(ICS) = 0.0
C
DO 90 JSS = 1, 3
RATE(JBE,JSS) = 0.0
IF(NSS(JBE,JSS) .EQ. 0) GO TO 90
C
CHI = TEV / EION(JBE,JSS)
A = CA(JSS) * DBLE(NSS(JBE,JSS))
B = CB(JSS) * DBLE(NSS(JBE,JSS))
C = CC(JSS) * DBLE(NSS(JBE,JSS))
D = CD(JSS) * DBLE(NSS(JBE,JSS))
RATE(JBE,JSS) = ADCFCHI(CHI,A,B,C,D) * (EION(JBE,JSS)**(-1.5)) *
& 2.2E-06 * DSQRT(CHI) * DEXP(-1.0/CHI)
PYGRI(ICS) = PYGRI(ICS) + PNE * RATE(JBE,JSS)
PYGRL(ICS) = PYGRL(ICS) + 1.6021E-19 * PNE * EION(JBE,JSS)
& * RATE(JBE,JSS)
90 CONTINUE
100 CONTINUE
C
RETURN
END