1 !vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv! 2 ! ! 3 ! Module name: USR_RATES ! 4 ! ! 5 ! Purpose: Hook for user defined reaction rates. ! 6 ! ! 7 ! Author: J.Musser Date: 10-Oct-12 ! 8 ! ! 9 ! Comments: Write reaction rates in units of moles/sec (cgs and SI). ! 10 ! ! 11 ! WARNING: Only discrete phase reactions should be specifed here. ! 12 ! Homogeneous gas phase reactions in DEM simulations must be given ! 13 ! in the continuum reaction hook (usr_rates.f). ! 14 ! ! 15 ! The call to usr_rates_des is made from inside a particle loop which ! 16 ! is nested inside an IJK loop. Fluid grid calculations independent ! 17 ! of particle properties can be carried out in des/usr4_des.f to ! 18 ! reduce redundant calculations. ! 19 ! ! 20 ! Example: Evaporation ! 21 ! ! 22 ! mfix.dat input: ! 23 !``````````````````````````````````````````````````````````````````````! 24 ! @(DES_RXNS) ! 25 ! Evap { chem_eq = "Liquid --> Vapor" } ! 26 ! @(DES_END) ! 27 !``````````````````````````````````````````````````````````````````````! 28 ! ! 29 ! des/usr_rates_des.f input: ! 30 !``````````````````````````````````````````````````````````````````````! 31 ! Sa = Pi*(2.0d0*DES_RADIUS(NP))**2 ! Particle surface area ! 32 ! H2O_xfr = ... ! An expression for mass transfer coefficient ! 33 ! Cmg_H2O = ... ! Molar concentration grad of water vapor ! 34 ! DES_RATES(EVAP) = Sa * H2O_xfr * Cmg_H2O ! 35 !``````````````````````````````````````````````````````````````````````! 36 ! * Species alias and reaction names given in the data file can be ! 37 ! used in reference to the reaction index in DES_RATES and a ! 38 ! species index in gas/solids phase variables. ! 39 ! ! 40 ! * Additional information is provided in section 4.11 of the code ! 41 ! Readme. ! 42 ! ! 43 !^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^! 44 SUBROUTINE USR_RATES_DES(NP, pM, IJK, DES_RATES) 45 46 USE compar 47 USE constant 48 USE des_thermo 49 USE des_rxns 50 USE discretelement 51 USE energy 52 USE fldvar 53 USE funits 54 USE geometry 55 USE indices 56 USE param 57 USE param1 58 USE physprop 59 USE rxns 60 USE run 61 USE usr 62 USE fun_avg 63 USE functions 64 65 IMPLICIT NONE 66 67 INTEGER, INTENT(IN) :: NP ! Global index of particle 68 INTEGER, INTENT(IN) :: pM ! Solid phase index of particle NP 69 INTEGER, INTENT(IN) :: IJK ! Fluid cell index containing NP 70 71 ! Calculated reaction rates. (reacted moles per sec) 72 DOUBLE PRECISION, INTENT(OUT) :: DES_RATES(NO_OF_DES_RXNS) 73 74 75 ! Reaction specific variables: 76 !`````````````````````````````````````````````````````````````````````// 77 78 INCLUDE 'species.inc' 79 INCLUDE 'usrnlst.inc' 80 81 ! Reaction rates: 82 !`````````````````````````````````````````````````````````````````````// 83 ! Include reaction rates here. Reaction rates should be stored in the 84 ! variable DES_RATES. The reaction name given in the data file can be 85 ! used to store the rate in the appropriate array location. Additional 86 ! input format parameters are given in Section 4.11 of the code Readme. 87 88 DES_RATES(:) = ZERO 89 90 RETURN 91 92 END SUBROUTINE USR_RATES_DES 93