Windows executables

Compiling source files

• chem
  Often referred as the "Chemkin Interpreter". It reads in the informations on the chemical species, reaction mechanism, and thermodynamic data described in text files and interprets them into a binary file which is used by the senkin program (senk) or other programs below.
• senk
  This is an executable of senkin. It reads in the informations on the species, reactions, and thermodynamics from the binary file generated by chem, reads in initial conditions, integration time, and etc. from a text file, and execute the kinetic calculation. Output is generated into a text file for a part of the resuls. All the results are stored into a binary file.
• sb2c  – senkin binary to(2) csv converter
  Converts the information in a binary file generated by senkin into CSV (comma separated values) file(s) which can be read by spread sheet programs such as the Excel. This is not a program included in the original Chemkin package.
• sbrest, sbhmix, sbliq, sbdump, sbgen, sbmod
  These are tools to manipulate SENKIN binary, to mix gases after or during the course of reaction, or to mix liquid under vaporization adiabatic condition with gases.
  sbrest reads SENKIN binary (save.bin), extract the first and last time-datasets, and store in the RESTART format. (save1st.bin and savelast.bin).
  sbmix mixes two RESTART-format files (save1.bin and save2.bin) under constant-pressure adiabatic (isoenthalpic) condition with 1:1 ratio and store it in a RESTART format file (smix.bin).
  sbliq mixes liquid fuel into gas given by savegas.bin, under constant-pressure adiabatic (HCON) or constant-volume adiabatic (UCON) condition and sotres into a file (sliqmix.bin).   The program reads following information from the standard input:

  ! addition of liquid n-heptane (50degC) by 0.1 as stoichiometry
  HCON
  STOI 0.1
  TLIQ 323.15
  LIQU nC7H16(L) nC7H16 1
  END

  LIQU specifies the names of the liquid and corresponding gaseous species in the mechanism and their mole fractions (that is, the liquid mixture can be specified).   TLIQ is a temperature of the liquid, and the quantity of mixing can be specified by as stoichiometory value (STOI) or by the mass fraction (MASF).
  sbdump dumps contents of a binary file out to an ascii text format file (.asc) or a csv format file (.csv).  type sbdump --help for the available command-line options.
  sbgen generates a binary file from an ascii text format file (.asc) or a csv format file (.csv).
  sbmod modifies a part of a binary file according to the instructions written in a text-format file.
  These programs have not been included in the original Chemkin distribution.
• findth
  Searches a Chemkin-format thermodynamic data file by a chemical formula. Not required for the execution of Chemkin / senkin. (Not included in the original Chemkin package.)
• rxnc  – reaction (rxn) contribution
  Calculates the contribution of reactions to the increase / decrease of the specified species at specified time from the senkin binary output. (Not included in the original Chemkin package.)
• shock
  Shock wave code in Chemkin.
• equil
  Equilibrium calculation code in Chemkin.
• premix
  PREMIX (one-dimensional laminar premixed flame propagation) program.
• pb2c
  Converts a binary file generated by PREMIX to CSV format.
• tran
  Binary transport coefficients file generator.
• psr
  PSR (Perfectly Stirred Reactor)

• chem.inp
  A text-format file of a reaction mechanism for the Chemkin Interpreter. A part of the sample file is shown below.

  ELEMENTS  H   O   N  END
  SPECIES H2  H  O2  O  OH  HO2  H2O2  H2O   N2 END
  REACTIONS
  H+O2+M=HO2+M                            3.61E17  -0.72       0.
    H2O/18.6/  H2/2.86/
  H+H+M=H2+M                              1.0E18   -1.0        0.
  ...(snip)...
  H2O2+OH=H2O+HO2                         1.0E13    0.0     1800.
  END

  The interpreter input should contain at least three input blocks, 'ELMENTS'~'END', 'SPECIES'~'END', and 'REACTIONS'~'END' which are the list of the elements in the system, the list of the chemical species to be considered, and the list of reactions to be considered, respectively.   Usually, the comprehensive names such as H2-O2.inp or CH4-Air.inp are preferred.
• therm.dat
  A text-format file containing 14 coefficients (per each species) for the NASA polynomial, which is the formulae for the thermodynamic functions.   In order to consider the chemical species not listed in this file, users should provide this data.   In this case, usually, give them in the chem.inp instead of editing the therm.dat file.
• chem.out
  A text-format output of the Chemkin Interpreter while interpreting the chem.inp.
• chem.bin
  A binary file used by senkin etc. containing the information on the chemcal species, reactions, and thermodynamic data extracted from the chem.inp and therm.dat.
• senk.inp
  A text-format file to specify the initial conditions etc. for senkin. Below is the content of the sample file.

  SENS
  CONP
  PRES 1.0
  TEMP 1000.
  TIME 2.E-4
  DELT 1.E-4
  REAC H2  2
  REAC O2  1
  REAC N2  4
  END

  'SENS' is a keyword to specify the execution of the sensitivity analysis. 'COMP' specifies the constant-pressure constraint. 'PRES' and 'TEMP' specify the initial pressure and temperature, respectively, and 'REAC' specifies the initial chemical composition. 'TIME' and 'DELT' are the end-of-integration time and out-interval time, respectively.   Similarly to the chem.inp, arbitrary name can be used and comprehensive name is preferred.
• senk.out
  An output containing the parsing status of senk.inp and calculation status.
• tign.out
  An output of pressure, temperature, and concentration of each species with the interval of 'DELT' specified in the senk.inp. Though being a printer or console friendly output, it is not suitable nor recommended to use with the spread-sheet or graphing softwares for post-processing.
• rest.bin
  A binary file necessary to restart the senkin quitted for some reason. The file also remains (with size of zero) after normal termination of the calculation, and it can be removed safely.
• save.bin
  A binary file containing all the resolts of senkin. Irrespective of the 'DELT' in senk.inp, results are stored for each integration time step for all the variables (concentrations). When 'SENS' (sensitivity analysis) is specified, the whole sensitivity coefficient matrix is stored for each time integration step.
• sb2c.inp
  A file to control the behavior of the converter from the save.bin to CSV file(s). Below is the sample input.

  ===== sb2c (sbin2csv.f) Control file =====
  [ TIME OUTPUT CONTROL:  (s ms us) atol=# rtol=# mind=# maxd=# sent=# ]
   us mind=1e-6 maxd=1e-5 atol=1e-15 rtol=.05
  [ CONC OUTPUT CONTROL:  all selonly none molecules/cc molefrac ]
   molecules/cc selonly
   H O OH HO2 H2 O2
  [ SENS OUTPUT CONTROL:  all none (or species name list) ]
   H O TEMP

  They are control variables for the unit of time output, frequency of the output, unit of concentration and species to be output, and sensitivity output.
• sb2c.out
  An output containing the parsing result of sb2c.inp and header information of save.bin and chem.bin files.
• skcn???.csv
  A CSV format file containing the time-integration results of pressure, temperature, and concentrations (or mole fractions) extracted from the save.bin.   The file can be opened by double-clicking it provided that a spread-sheet software such as the Excel is installed.   When the number of variables are large, the output is separated to multiple files named as "???" = "001", "002", "003", ... so that a file does not contain more than 50 variables.
• sXXXX???.csv
  CSV files containing the sensitivity coefficients extracted from the save.bin. In many cases, sensitivity coefficients are needed for some specific variables only, and the output is separated for each variables. The part of the file name "XXXX" is the serial number of the variable. The corresponding variable (species) name can be found in the sb2c.out.   When the number of reaction is large, the output is further separated with "???" = "000", "001", ... so that a file does not contain the coefficients for more than 50 reactions.   In the title of the column in each file 'Siiii', 'iiii' indicate the serial number of the reaction, and the corresponding reaction can be found in the chem.out.   sXXXXsel.csv and sXXXXall.csv contain the values of the absolute-maximum sensitivity coefficients during the time integration.   sXXXXsel.csv contains the sorted largest ones, while sXXXXall.csv contains ones for all reactions.
• rxnc.inp
  A text-format file controlling the behavior of the rxnc.   Below is the sample.

  ===== rxnc (rxncntrb.f) Control Input File =====
  [ (Time points to be investigated in s) time1, time2, ... ]
   2.5e-4 1.78e-4 5e-5 1.e-6
  [ (species to be investigated) name1, name2, ... ]
   H O HO2
  [ options (atol, min%, top#, sbin, ocsv) ]
   atol=1e-20 min%=0.1 sbin=save.bin

  This file species the time or chemical species for the evaluation and other options.
• rxnc.out
  An outpu of rxnc.   Below is an example.

   ------ rxncntrb -------------------------------
   Calculate contributions of reactions for the
     :
     : Header - echo of rxnc.inp and information on the sankin binary.
     :
   CHEM BIN file contains      9 species
                      and     20 reactions.
   -----------------------------------------------
   ----- species [H] ----------------------------- (results for H)
   TIME = 9.8545E-07                               (at ~1 micro seccond)
    <creation>    net = 8.2200E-09 (app = 8.2200E-09)
      rxn  10  95.69 Fwd OH+H2<=>H2O+H
      rxn  17   2.76 Rev H+HO2<=>H2+O2
      rxn  12   1.56 Fwd O+H2<=>OH+H
    <destruction> net = 9.6809E-10 (app = 9.6809E-10)
    <1st-ord dst> net = 1.6328E+05 (app = 1.6328E+05)
      rxn  11  50.30 Rev O+OH<=>O2+H
      rxn   1  49.70 Fwd H+O2+M<=>HO2+M
   TIME = 4.9795E-05                               (at ~50 micro second)
     :
     :
   -----------------------------------------------
  
   ----- species [O] ----------------------------- (results for O)
   TIME = 9.8545E-07
     :
     :