IonizationEnergy.py
# -*- coding: utf-8 -*-
"""
Created on Mon Apr 24 17:12:02 2017
@author: ishort
"""
def getIonE(species):
"""// Ground state ionization energies in eV
//From NIST Atomic Spectra Database
//Ionization Energies Data """
#//Kramida, A., Ralchenko, Yu., Reader, J., and NIST ASD Team (2014). NIST Atomic Spectra Database (ver. 5.2), [Online]. Available: http://physics.nist.gov/asd [2015, November 23]. National Institute of Standards and Technology, Gaithersburg, MD.
#//Heaviest element treatable: La
#//Ionization stages that don't exist (eg. "HIII") are given extremely large ioization energies (999 ev)
ionE = 999999.0 #//default initialization
if ("HI" == species):
ionE = 13.598434005136
if ("HII" == species):
ionE = 999999.0
if ("HIII" == species):
ionE = 999999.0
if ("HIV" == species):
ionE = 999999.0
if ("HV" == species):
ionE = 999999.0
if ("HVI" == species):
ionE = 999999.0
if ("HeI" == species):
ionE = 24.587387936
if ("HeII" == species):
ionE = 54.417763110
if ("HeIII" == species):
ionE = 999999.0
if ("HeIV" == species):
ionE = 999999.0
if ("HeV" == species):
ionE = 999999.0
if ("HeVI" == species):
ionE = 999999.0
if ("LiI" == species):
ionE = 5.391714761
if ("LiII" == species):
ionE = 75.6400937
if ("LiIII" == species):
ionE = 122.45435380
if ("LiIV" == species):
ionE = 999999.0
if ("LiV" == species):
ionE = 999999.0
if ("LiVI" == species):
ionE = 999999.0
if ("BeI" == species):
ionE = 9.3226990
if ("BeII" == species):
ionE = 18.211153
if ("BeIII" == species):
ionE = 153.8961980
if ("BeIV" == species):
ionE = 217.7185766
if ("BeV" == species):
ionE = 999999.0
if ("BeVI" == species):
ionE = 999999.0
if ("BI" == species):
ionE = 8.2980190
if ("BII" == species):
ionE = 25.154830
if ("BIII" == species):
ionE = 37.930580
if ("BIV" == species):
ionE = 259.3715
if ("BV" == species):
ionE = 340.2260080
if ("BVI" == species):
ionE = 999999.0
if ("CI" == species):
ionE = 11.260300
if ("CII" == species):
ionE = 24.38450
if ("CIII" == species):
ionE = 47.88778
if ("CIV" == species):
ionE = 64.49351
if ("CV" == species):
ionE = 392.090500
if ("CVI" == species):
ionE = 489.9931770
if ("NI" == species):
ionE = 14.534130
if ("NII" == species):
ionE = 29.601250
if ("NIII" == species):
ionE = 47.4453
if ("NIV" == species):
ionE = 77.47350
if ("NV" == species):
ionE = 97.89013
if ("NVI" == species):
ionE = 552.067310
if ("OI" == species):
ionE = 13.6180540
if ("OII" == species):
ionE = 35.121110
if ("OIII" == species):
ionE = 54.93554
if ("OIV" == species):
ionE = 77.41350
if ("OV" == species):
ionE = 113.89890
if ("OVI" == species):
ionE = 138.1189
if ("FI" == species):
ionE = 17.422820
if ("FII" == species):
ionE = 34.97081
if ("FIII" == species):
ionE = 62.70800
if ("FIV" == species):
ionE = 87.175
if ("FV" == species):
ionE = 114.2490
if ("FVI" == species):
ionE = 157.16310
if ("NeI" == species):
ionE = 21.5645400
if ("NeII" == species):
ionE = 40.962960
if ("NeIII" == species):
ionE = 63.42331
if ("NeIV" == species):
ionE = 97.1900
if ("NeV" == species):
ionE = 126.247
if ("NeVI" == species):
ionE = 157.9340
if ("NaI" == species):
ionE = 5.13907670
if ("NaII" == species):
ionE = 47.28636
if ("NaIII" == species):
ionE = 71.6200
if ("NaIV" == species):
ionE = 98.936
if ("NaV" == species):
ionE = 138.400
if ("NaVI" == species):
ionE = 172.228
if ("MgI" == species):
ionE = 7.6462350
if ("MgII" == species):
ionE = 15.0352670
if ("MgIII" == species):
ionE = 80.14360
if ("MgIV" == species):
ionE = 109.2654
if ("MgV" == species):
ionE = 141.335
if ("MgVI" == species):
ionE = 186.760
if ("AlI" == species):
ionE = 5.9857684
if ("AlII" == species):
ionE = 18.828550
if ("AlIII" == species):
ionE = 28.447640
if ("AlIV" == species):
ionE = 119.9924
if ("AlV" == species):
ionE = 153.8252
if ("AlVI" == species):
ionE = 190.490
if ("SiI" == species):
ionE = 8.151683
if ("SiII" == species):
ionE = 16.345845
if ("SiIII" == species):
ionE = 33.493000
if ("SiIV" == species):
ionE = 45.141790
if ("SiV" == species):
ionE = 166.7670
if ("SiVI" == species):
ionE = 205.267
if ("PI" == species):
ionE = 10.486686
if ("PII" == species):
ionE = 19.769490
if ("PIII" == species):
ionE = 30.202640
if ("PIV" == species):
ionE = 51.44387
if ("PV" == species):
ionE = 65.02511
if ("PVI" == species):
ionE = 220.4304
if ("SI" == species):
ionE = 10.36001
if ("SII" == species):
ionE = 23.33788
if ("SIII" == species):
ionE = 34.856
if ("SIV" == species):
ionE = 47.222
if ("SV" == species):
ionE = 72.59449
if ("SVI" == species):
ionE = 88.05292
if ("ClI" == species):
ionE = 12.967632
if ("ClII" == species):
ionE = 23.81364
if ("ClIII" == species):
ionE = 39.80
if ("ClIV" == species):
ionE = 53.24
if ("ClV" == species):
ionE = 67.68
if ("ClVI" == species):
ionE = 96.940
if ("ArI" == species):
ionE = 15.75961120
if ("ArII" == species):
ionE = 27.62967
if ("ArIII" == species):
ionE = 40.735
if ("ArIV" == species):
ionE = 59.58
if ("ArV" == species):
ionE = 74.84
if ("ArVI" == species):
ionE = 91.290
if ("KI" == species):
ionE = 4.340663540
if ("KII" == species):
ionE = 31.62500
if ("KIII" == species):
ionE = 45.8031
if ("KIV" == species):
ionE = 60.917
if ("KV" == species):
ionE = 82.66
if ("KVI" == species):
ionE = 99.40
if ("CaI" == species):
ionE = 6.11315520
if ("CaII" == species):
ionE = 11.8717180
if ("CaIII" == species):
ionE = 50.91315
if ("CaIV" == species):
ionE = 67.273
if ("CaV" == species):
ionE = 84.338
if ("CaVI" == species):
ionE = 108.78
if ("ScI" == species):
ionE = 6.561490
if ("ScII" == species):
ionE = 12.79977
if ("ScIII" == species):
ionE = 24.756838
if ("ScIV" == species):
ionE = 73.48940
if ("ScV" == species):
ionE = 91.949
if ("ScVI" == species):
ionE = 110.680
if ("TiI" == species):
ionE = 6.828120
if ("TiII" == species):
ionE = 13.5755
if ("TiIII" == species):
ionE = 27.49171
if ("TiIV" == species):
ionE = 43.26717
if ("TiV" == species):
ionE = 99.300
if ("TiVI" == species):
ionE = 119.530
if ("VI" == species):
ionE = 6.746187
if ("VII" == species):
ionE = 14.6200
if ("VIII" == species):
ionE = 29.3110
if ("VIV" == species):
ionE = 46.7090
if ("VV" == species):
ionE = 65.28165
if ("VVI" == species):
ionE = 128.130
if ("CrI" == species):
ionE = 6.766510
if ("CrII" == species):
ionE = 16.486305
if ("CrIII" == species):
ionE = 30.960
if ("CrIV" == species):
ionE = 49.160
if ("CrV" == species):
ionE = 69.460
if ("CrVI" == species):
ionE = 90.63500
if ("MnI" == species):
ionE = 7.4340377
if ("MnII" == species):
ionE = 15.639990
if ("MnIII" == species):
ionE = 33.668
if ("MnIV" == species):
ionE = 51.20
if ("MnV" == species):
ionE = 72.40
if ("MnVI" == species):
ionE = 95.600
if ("FeI" == species):
ionE = 7.9024678
if ("FeII" == species):
ionE = 16.199200
if ("FeIII" == species):
ionE = 30.651
if ("FeIV" == species):
ionE = 54.910
if ("FeV" == species):
ionE = 75.00
if ("FeVI" == species):
ionE = 98.985
if ("CoI" == species):
ionE = 7.88101
if ("CoII)" == species):
ionE = 17.0844
if ("CoIII" == species):
ionE = 33.500
if ("CoIV" == species):
ionE = 51.27
if ("CoV" == species):
ionE = 79.50
if ("CoVI" == species):
ionE = 102.00
if ("NiI" == species):
ionE = 7.639877
if ("NiII" == species):
ionE = 18.168837
if ("NiIII" == species):
ionE = 35.190
if ("NiIV" == species):
ionE = 54.90
if ("NiV" == species):
ionE = 76.060
if ("NiVI" == species):
ionE = 108.0
if ("CuI" == species):
ionE = 7.7263800
if ("CuII" == species):
ionE = 20.292390
if ("CuIII" == species):
ionE = 36.841
if ("CuIV" == species):
ionE = 57.380
if ("CuV" == species):
ionE = 79.80
if ("CuVI" == species):
ionE = 103.0
if ("ZnI" == species):
ionE = 9.3941970
if ("ZnII" == species):
ionE = 17.96439
if ("ZnIII" == species):
ionE = 39.72300
if ("ZnIV" == species):
ionE = 59.573
if ("ZnV" == species):
ionE = 82.60
if ("ZnVI" == species):
ionE = 108.0
if ("GaI" == species):
ionE = 5.9993018
if ("GaII" == species):
ionE = 20.51514
if ("GaIII" == species):
ionE = 30.72600
if ("GaIV" == species):
ionE = 63.2410
if ("GaV" == species):
ionE = 86.01
if ("GaVI" == species):
ionE = 112.7
if ("GeI" == species):
ionE = 7.899435
if ("GeII" == species):
ionE = 15.934610
if ("GeIII" == species):
ionE = 34.0576
if ("GeIV" == species):
ionE = 45.7150
if ("GeV" == species):
ionE = 90.500
if ("GeVI" == species):
ionE = 115.90
if ("KrI" == species):
ionE = 13.9996049
if ("KrII" == species):
ionE = 24.35984
if ("KrIII" == species):
ionE = 35.838
if ("KrIV" == species):
ionE = 50.85
if ("KrV" == species):
ionE = 64.69
if ("KrVI" == species):
ionE = 78.49
if ("RbI" == species):
ionE = 4.1771280
if ("RbII" == species):
ionE = 27.289540
if ("RbIII" == species):
ionE = 39.2470
if ("RbIV" == species):
ionE = 52.20
if ("RbV" == species):
ionE = 68.40
if ("RbVI" == species):
ionE = 82.9
if ("SrI" == species):
ionE = 5.69486720
if ("SrII" == species):
ionE = 11.0302760
if ("SrIII" == species):
ionE = 42.88353
if ("SrIV" == species):
ionE = 56.2800
if ("SrV" == species):
ionE = 71.00
if ("SrVI" == species):
ionE = 88.0
if ("YI" == species):
ionE = 6.21726
if ("YII" == species):
ionE = 12.22400
if ("YIII" == species):
ionE = 20.52441
if ("YIV" == species):
ionE = 60.6070
if ("YV" == species):
ionE = 74.97
if ("YVI" == species):
ionE = 91.390
if ("ZrI" == species):
ionE = 6.633900
if ("ZrII" == species):
ionE = 13.13
if ("ZrIII" == species):
ionE = 23.1700
if ("ZrIV" == species):
ionE = 34.418360
if ("ZrV" == species):
ionE = 80.3480
if ("ZrVI" == species):
ionE = 96.383
if ("NbI" == species):
ionE = 6.758850
if ("NbII" == species):
ionE = 14.32
if ("NbIII" == species):
ionE = 25.0
if ("NbIV" == species):
ionE = 37.611
if ("NbV" == species):
ionE = 50.5728
if ("NbVI" == species):
ionE = 102.0690
if ("CsI" == species):
ionE = 3.893905548
if ("CsII" == species):
ionE = 23.157450
if ("CsIII" == species):
ionE = 33.1950
if ("CsIV" == species):
ionE = 43.0
if ("CsV" == species):
ionE = 56.0
if ("CsVI" == species):
ionE = 69.1
if ("BaI" == species):
ionE = 5.2116640
if ("BaII" == species):
ionE = 10.003826
if ("BaIII" == species):
ionE = 35.8400
if ("BaIV" == species):
ionE = 47.03
if ("BaV" == species):
ionE = 58.0
if ("BaVI" == species):
ionE = 71.0
if ("LaI" == species):
ionE = 5.57690
if ("LaII" == species):
ionE = 11.184920
if ("LaIII" == species):
ionE = 19.17730
if ("LaIV" == species):
ionE = 49.950
if ("LaV" == species):
ionE = 61.60
if ("LaVI" == species):
ionE = 74.0
#//
return ionE;
# } //end of method getIonE
def getDissE(species):
""" // Molecular dissociation energies in eV
//From NIST Allen's Astrophysical Quantities, 4th Ed. """
dissE = 8.0 #//default initialization
if (species == "H2"):
dissE = 4.4781
if (species == "H2+"):
dissE = 2.6507
if (species == "C2"):
dissE = 6.296
if (species == "CH"):
dissE = 3.465
if (species == "CO"):
dissE = 11.092
if (species == "CN"):
dissE = 7.76
if (species == "N2"):
dissE = 9.759
if (species == "NH"):
dissE = 3.47
if (species == "NO"):
dissE = 6.497
if (species == "O2"):
dissE = 5.116
if (species == "OH"):
dissE = 4.392
if (species == "MgH"):
dissE = 1.34
if (species == "SiO"):
dissE = 8.26
if (species == "CaH"):
dissE = 1.70
if (species == "CaO"):
dissE = 4.8
if (species == "TiO"):
dissE = 6.87
if (species == "VO"):
dissE = 6.4
if (species == "FeO"):
dissE = 4.20
#//
return dissE
# }; //end of method getDissE
