31 Oct. 2002 Added description and comments. Tatiana ## Numbering Rules ( ITYPE ) for reaction types in CDDATA, JCDDATA, qdata etc. The original version (1990 - 1991 Aug) is in directory z/zjmemo.txt. This file has been updated and modified at OSU since 1991 Sept. Notes for changing eqwrt.f are found in eqwrt.memo . Numbering rules for reactions. ========================================================================== ITYPE Reaction Type ------------------------------------------------------------------------- 0 Gas-grain interaction, electron-grain recombination (old version) 1 Cosmic Ray ionization. A(J)=scaling factor 2 Ion-melecule reactions and charge exchange reactions. 3 Negative ion - neutral species reactions 4 Radiative association: ion-neutral 5 Electron ejection: negative ion - neutral 6 neutral + neutral --> ion + electron (only one reaction) 7 Neutral + Neutral chemical reaction. 8 Neutral + Neutral radiative association. 9 Dissociative recombination. 10 Radiative recombination (No dissociation) atomic,molecular ion + e. 11 Positive-ion .vs. Negative-ion Recombination. 12 Electron attachment (neutral + e --> negative ion) 13 Photo-ionization and photo-dissociation. 14 Grain-surface chemical reactions Activation energy is given as C(J) for ITYPE=14, if it may not be used in the program. 15 Thermal evaporation. JX-->X. All finite values were used in jcddata3.1 Adsorption energy is to be given here as C(J) and is used for various purposes. 16 Cosmic Ray induced general desorption JX -> X ==> Plan changed. ED dependent CR induced classical desorption. 17 Photodissociation by cosmic rays JNO -> JN + JO corresponds to NO -> N + O 18 Photodissociation by cosmic rays JNO -> JN + JO corresponds to NO -> NO+ + E 19 Photodissociation by background photons JC2 -> JC + JC corresponds to C2 -> C + C 20 Photodissociation by background photons JC2 -> JC + JC corresponds to C2 -> C2+ + E ## Chemi-desorption (Reaction products only, or selective desorption) ## General (indiscriminate) desorption due to formation energy. ## Photo-desorption (discriminate or indiscriminate) 97 Dummy: surface -> mantle transition. JX -> QX 98 Dummy: mantle -> surface transition. QX -> JX 99 Dummy: gas -> surface accretion. X -> JX May be made meaningful if appropriate. ---> Currently, X--->JX are treated as 99. Actural Accretion Term in program = Q(I). [schem.f, jchem.f, qchem.f] Q(I) Gas accretion onto grains (sticking) ------------------------------------------------------------------------------ Naming rules. All file names related to surface chemistry begin with j, viz. JCO = surface CO, QCO = manltle CO. jchem2.f = main routine version 2 etc. jchem1.f was developed from schemv4.f jcdfr3.f = sub FCHM10 ,,, sub RATES,,,,, etc. corresponds to scdfr.f jcddata = input deck, similar to cddata jcdout or jout = output file, similar to cdoutput Mantle/surface species are separated in files whose name begin with q. qchem1.f =main routine, developed from jchem9.f qcdfr1.f qdata1.1 qout ----------------------------------------------------