122 lines
3.1 KiB
Fortran
122 lines
3.1 KiB
Fortran
! This program illustrates using Cantera in Fortran 90 to compute
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! thermodynamic, kinetic, and transport properties of a gas mixture.
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!
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program main
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! use the Cantera module
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use cantera
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implicit none
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! objects representing phases of matter have type 'phase_t'
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type(phase_t) gas
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integer nsp, nrxns
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double precision :: t, p
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write(*,*)
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write(*,*) '******** Fortran 90 Test Program ********'
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! Read in a definition of the 'gas' phase.
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! This will take the definition with name 'ohmech' from file
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! 'h2o2.cti', located in the Cantera data directory
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gas = importPhase('h2o2.cti','ohmech')
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t = 1200.0 ! K
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p = 101325.0 ! Pa
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! set the temperature, pressure, and mole fractions.
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call setState_TPX(gas, t, p, 'H2:1, O2:1, AR:2')
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nsp = nSpecies(gas) ! number of species
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nrxns = nReactions(gas) ! number of reactions
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call demo(gas, nsp, nrxns)
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stop
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end program main
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!--------------------------------------------------------
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subroutine demo(gas, MAXSP, MAXRXNS)
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! use the Cantera module
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use cantera
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implicit none
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! declare the arguments
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type(phase_t), intent(inout) :: gas
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integer, intent(in) :: MAXSP
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integer, intent(in) :: MAXRXNS
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double precision q(MAXRXNS), qf(MAXRXNS), qr(MAXRXNS)
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double precision diff(MAXSP)
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character*80 eq
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character*20 name
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double precision :: dnu, dlam
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integer :: i, irxns, nsp, k
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write(*,*) 'Initial state properties:'
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write(*,10) temperature(gas), pressure(gas), density(gas), &
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enthalpy_mole(gas), entropy_mole(gas), cp_mole(gas)
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! compute the equilibrium state holding the specific
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! enthalpy and pressure constant
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call equilibrate(gas, 'HP')
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write(*,*) 'Equilibrium state properties:'
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write(*,10) temperature(gas), pressure(gas), density(gas), &
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enthalpy_mole(gas), entropy_mole(gas), cp_mole(gas)
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10 format(//'Temperature: ',g14.5,' K'/ &
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'Pressure: ',g14.5,' Pa'/ &
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'Density: ',g14.5,' kg/m3'/ &
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'Molar Enthalpy:',g14.5,' J/kmol'/ &
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'Molar Entropy: ',g14.5,' J/kmol-K'/ &
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'Molar cp: ',g14.5,' J/kmol-K'//)
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! Reaction information
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irxns = nReactions(gas)
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! forward and reverse rates of progress should be equal
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! in equilibrium states
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call getFwdRatesOfProgress(gas, qf)
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call getRevRatesOfProgress(gas, qr)
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! net rates of progress should be zero in equilibrium states
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call getNetRatesOfProgress(gas, q)
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! for each reaction, print the equation and the rates of progress
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do i = 1,irxns
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call getReactionString(gas, i,eq)
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write(*,20) eq,qf(i),qr(i),q(i)
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20 format(a27,3e14.5,' kmol/m3/s')
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end do
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! transport properties
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dnu = viscosity(gas)
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dlam = thermalConductivity(gas)
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call getMixDiffCoeffs(gas, diff)
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write(*,30) dnu, dlam
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30 format(//'Viscosity: ',g14.5,' Pa-s'/ &
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'Thermal conductivity: ',g14.5,' W/m/K'/)
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write(*,*) 'Species Diffusion Coefficient'
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nsp = nSpecies(gas)
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do k = 1, nsp
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call getSpeciesName(gas, k, name)
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write(*,40) name, diff(k)
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40 format(' ',a20,e14.5,' m2/s')
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end do
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return
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end subroutine demo
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