sln-mixture.5 (3742B)
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 program is free software: you can redistribute it and/or modify 7 .\" it under the terms of the GNU General Public License as published by 8 .\" the Free Software Foundation, either version 3 of the License, or 9 .\" (at your option) any later version. 10 .\" 11 .\" This program is distributed in the hope that it will be useful, 12 .\" but WITHOUT ANY WARRANTY; without even the implied warranty of 13 .\" MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 14 .\" GNU General Public License for more details. 15 .\" 16 .\" You should have received a copy of the GNU General Public License 17 .\" along with this program. If not, see <http://www.gnu.org/licenses/>. 18 .Dd February 5, 2026 19 .Dt SLN-MIXTURE 5 20 .Os 21 .\"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" 22 .Sh NAME 23 .Nm sln-mixture 24 .Nd description of a gaz mixture 25 .\"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" 26 .Sh DESCRIPTION 27 .Nm 28 is a file format whose purpose is to define the list of molecules in a 29 gas mixture, their concentration, the cutoff of their spectroscopic 30 line, and, possibly, the abundance of their isotopes if their default 31 abundance is not suitable for the mixture. 32 .Pp 33 A 34 .Nm 35 file is not sufficient on its own. 36 It is implicitly defined in relation to an isotope metadata file listing 37 the other parameters of the molecules 38 .Pq molar mass, degeneracy factor, etc. , 39 and the list of their isotopes with their default abundance. 40 In a 41 .Nm 42 file, isotope identifiers must therefore correspond to those defined in 43 the metadata file. 44 Similarly, the list of isotopic abundances listed for a molecule must 45 respect the order of the molecule's isotopes as defined in these 46 metadata. 47 .Pp 48 .Nm 49 is a text file format. 50 Characters behind the hash mark 51 .Pq Li # 52 are considered comments and are therefore ignored, as well as empty lines, 53 i.e. lines without any characters or composed only of spaces and tabs. 54 .Pp 55 The file format is as follows: 56 .Bl -column (concentration) (::=) () 57 .It Ao Va mixture Ac Ta ::= Ta 58 .Aq Va molecule 59 .Aq Va concentration 60 .Aq Va cutoff 61 .It \ Ta Ta Op Ao Va isotope-list Ac 62 .It Ao Va isotope-list Ac Ta ::= Ta Ao Va isotope-id Ac Ao Va abundance Ac 63 .It \ Ta Ta ... 64 .It \ Ta Ta 65 .It Ao Va molecule Ac Ta ::= Ta Vt string No # molecule name 66 .It Ao Va concentration Ac Ta ::= Ta Vt real No # Bq mol/mol 67 .It Ao Va cutoff Ac Ta ::= Ta Vt real No # Bq cm^-1 68 .It Ao Va isotope-id Ac Ta ::= Ta Vt integer 69 .It Ao Va abundance Ac Ta ::= Ta Vt real 70 .El 71 .\"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" 72 .Sh EXAMPLES 73 Configure a gas mixture composed of H2O, CO2, and O3 molecules. 74 Their respective concentrations are 1.9e-2 mol/mol, 2.87e-4 mol/mol, and 75 6.15e-6 mol/mol. 76 Truncate the influence of spectroscopic lines at 25 cm^-1 from their 77 center, except for CO2 lines, which are cut at 50 cm^-1. 78 Use the default abundance of isotopes for each molecule, except for H2O, 79 whose abundances are redefined to consider only the first three 80 isotopes: 81 .Bd -literal -offset Ds 82 # molecule concentration [mol/mol] cutoff [cm^-1] 83 H2O 1.9E-2 25 84 # isotope-id abundance 85 161 9.97E-01 86 181 2.00E-03 87 171 1.00E-03 88 89 # molecule concentration [mol/mol] cutoff [cm^-1] 90 CO2 2.87E-4 50 91 O3 6.15E-6 25 92 .Ed 93 .\"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" 94 .Sh SEE ALSO 95 .Rs 96 .%T The HITRAN Database 97 .%U https://hitran.org/ 98 .Re