sln-mixture.5 (3782B)
1 .\" Copyright (C) 2022, 2026 |Méso|Star> (contact@meso-star.com) 2 .\" Copyright (C) 2026 Université de Lorraine 3 .\" Copyright (C) 2022 Centre National de la Recherche Scientifique 4 .\" Copyright (C) 2022 Université Paul Sabatier 5 .\" 6 .\" This file is part of Star-Line. 7 .\" 8 .\" This program is free software: you can redistribute it and/or modify 9 .\" it under the terms of the GNU General Public License as published by 10 .\" the Free Software Foundation, either version 3 of the License, or 11 .\" (at your option) any later version. 12 .\" 13 .\" This program is distributed in the hope that it will be useful, 14 .\" but WITHOUT ANY WARRANTY; without even the implied warranty of 15 .\" MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 16 .\" GNU General Public License for more details. 17 .\" 18 .\" You should have received a copy of the GNU General Public License 19 .\" along with this program. If not, see <http://www.gnu.org/licenses/>. 20 .Dd February 5, 2026 21 .Dt SLN-MIXTURE 5 22 .Os 23 .\"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" 24 .Sh NAME 25 .Nm sln-mixture 26 .Nd description of a gaz mixture 27 .\"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" 28 .Sh DESCRIPTION 29 .Nm 30 is a file format whose purpose is to define the list of molecules in a 31 gas mixture, their concentration, the cutoff of their spectroscopic 32 line, and, possibly, the abundance of their isotopes if their default 33 abundance is not suitable for the mixture. 34 .Pp 35 A 36 .Nm 37 file is not sufficient on its own. 38 It is implicitly defined in relation to an isotope metadata file listing 39 the other parameters of the molecules 40 .Pq molar mass, degeneracy factor, etc. , 41 and the list of their isotopes with their default abundance. 42 In a 43 .Nm 44 file, isotope identifiers must therefore correspond to those defined in 45 the metadata file. 46 Similarly, the list of isotopic abundances listed for a molecule must 47 respect the order of the molecule's isotopes as defined in these 48 metadata. 49 .Pp 50 .Nm 51 is a text file format. 52 Characters behind the hash mark 53 .Pq Li # 54 are considered comments and are therefore ignored, as well as empty lines, 55 i.e. lines without any characters or composed only of spaces and tabs. 56 .Pp 57 The file format is as follows: 58 .Bl -column (concentration) (::=) () 59 .It Ao Va mixture Ac Ta ::= Ta 60 .Aq Va molecule 61 .Aq Va concentration 62 .Aq Va cutoff 63 .It \ Ta Ta Op Ao Va isotope-list Ac 64 .It Ao Va isotope-list Ac Ta ::= Ta Ao Va isotope-id Ac Ao Va abundance Ac 65 .It \ Ta Ta ... 66 .It \ Ta Ta 67 .It Ao Va molecule Ac Ta ::= Ta Vt string No # molecule name 68 .It Ao Va concentration Ac Ta ::= Ta Vt real No # Bq mol/mol 69 .It Ao Va cutoff Ac Ta ::= Ta Vt real No # Bq cm^-1 70 .It Ao Va isotope-id Ac Ta ::= Ta Vt integer 71 .It Ao Va abundance Ac Ta ::= Ta Vt real 72 .El 73 .\"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" 74 .Sh EXAMPLES 75 Configure a gas mixture composed of H2O, CO2, and O3 molecules. 76 Their respective concentrations are 1.9e-2 mol/mol, 2.87e-4 mol/mol, and 77 6.15e-6 mol/mol. 78 Truncate the influence of spectroscopic lines at 25 cm^-1 from their 79 center, except for CO2 lines, which are cut at 50 cm^-1. 80 Use the default abundance of isotopes for each molecule, except for H2O, 81 whose abundances are redefined to consider only the first three 82 isotopes: 83 .Bd -literal -offset Ds 84 # molecule concentration [mol/mol] cutoff [cm^-1] 85 H2O 1.9E-2 25 86 # isotope-id abundance 87 161 9.97E-01 88 181 2.00E-03 89 171 1.00E-03 90 91 # molecule concentration [mol/mol] cutoff [cm^-1] 92 CO2 2.87E-4 50 93 O3 6.15E-6 25 94 .Ed 95 .\"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" 96 .Sh SEE ALSO 97 .Rs 98 .%T The HITRAN Database 99 .%U https://hitran.org/ 100 .Re