[Fortran] Enable creating surfaces from YAML

Add an example of importing an interface phase / kinetics to the
F90 demo program

samples/f90/demo.f90

@@ -16,9 +16,11 @@ program main
   implicit none
 
   ! objects representing phases of matter have type 'phase_t'
-  type(phase_t) gas
+  type(phase_t) :: gas, surf
+  type(interface_t) iface
   integer nsp, nrxns
   double precision :: t, p
+  character*1000 err_buf
 
   write(*,*)
   write(*,*) '********   Fortran 90 Test Program   ********'
@@ -41,6 +43,14 @@ program main
 
   call demo(gas, nsp, nrxns)
 
+  ! Demo of importing a phase with surface kinetics
+  gas = importPhase('ptcombust.yaml', 'gas')
+  iface = importInterface('ptcombust.yaml', 'Pt_surf', gas)
+  surf = iface%surf
+  call setState_TPX(gas, t, p, 'H2:0.1, O2:0.65, H2O:0.2, CO:0.05')
+  call setState_TPX(surf, t, p, 'O(S):0.01, PT(S): 0.8, CO(S): 0.19')
+  call demo_surf(surf, nSpecies(surf), nReactions(surf))
+
 end program main
 
 
@@ -137,3 +147,27 @@ subroutine demo(gas, MAXSP, MAXRXNS)
   return
 
 end subroutine demo
+
+subroutine demo_surf(surf, nsp, nrxn)
+  use cantera
+  implicit none
+
+  type(phase_t) surf
+  integer :: nsp, nrxn, i
+  character*40 equation
+  double precision :: kf(nrxn), ropnet(nrxn)
+
+  write(*,*)
+  write(*,*) '********   Interface Kinetics Test   ********'
+  write(*,*)
+
+  call getFwdRatesOfProgress(surf, kf)
+  call getNetRatesOfProgress(surf, ropnet)
+
+  write(*,*) 'Equation                                     k_fwd        Net rate'
+  do i = 1, nrxn
+    call getReactionString(surf, i, equation)
+    write(*,60) equation, kf(i), ropnet(i)
+60  format(' ',a40, e14.5, e14.5)
+  end do
+end subroutine demo_surf

src/fortran/cantera_funcs.f90

@@ -41,13 +41,16 @@ type(interface_t) function ctfunc_importInterface(src, id, gas, bulk, loglevel)
       implicit none
       character*(*), intent(in) :: src
       character*(*), intent(in), optional :: id
-      type(phase_t) gas, bulk, surf
+      type(phase_t) gas, surf
+      type(phase_t), intent(in), optional :: bulk
       integer, intent(in), optional :: loglevel
 
       type(interface_t) self
 
       self%surf = ctthermo_newFromFile(src, id)
-      self%bulk = bulk
+      if (present(bulk)) then
+        self%bulk = bulk
+      end if
       self%gas = gas
       call ctkin_newFromFile(self%surf, src, id, gas, bulk)
 

test_problems/fortran/f90_demo_blessed.txt

@@ -78,3 +78,31 @@ Thermal conductivity:     0.16396      W/m/K
  H2O2                    77993.     J/kmol-K   0.32003E+08 J/kmol   -43.168    -
  AR                      20786.     J/kmol-K   0.52023E+08 J/kmol   -21.976    -
  N2                      36896.     J/kmol-K   0.85374E+08 J/kmol   -28.119    -
+
+ ********   Interface Kinetics Test   ********
+
+ Equation                                     k_fwd        Net rate
+ H2 + 2 PT(S) => 2 H(S)                     0.33111E-01   0.33111E-01
+ 2 H(S) => H2 + 2 PT(S)                     0.00000E+00   0.00000E+00
+ H + PT(S) => H(S)                          0.00000E+00   0.00000E+00
+ O2 + 2 PT(S) => 2 O(S)                     0.15290E-01   0.15290E-01
+ O2 + 2 PT(S) => 2 O(S)                     0.20585E-01   0.20585E-01
+ 2 O(S) => O2 + 2 PT(S)                     0.14336E-07   0.14336E-07
+ O + PT(S) => O(S)                          0.00000E+00   0.00000E+00
+ H2O + PT(S) => H2O(S)                      0.35283E+00   0.35283E+00
+ H2O(S) => H2O + PT(S)                      0.00000E+00   0.00000E+00
+ OH + PT(S) => OH(S)                        0.00000E+00   0.00000E+00
+ OH(S) => OH + PT(S)                        0.00000E+00   0.00000E+00
+ H(S) + O(S) <=> OH(S) + PT(S)              0.00000E+00   0.00000E+00
+ H(S) + OH(S) <=> H2O(S) + PT(S)            0.00000E+00   0.00000E+00
+ 2 OH(S) <=> H2O(S) + O(S)                  0.00000E+00   0.00000E+00
+ CO + PT(S) => CO(S)                        0.12687E+00   0.12687E+00
+ CO(S) => CO + PT(S)                        0.17276E+00   0.17276E+00
+ CO2(S) => CO2 + PT(S)                      0.00000E+00   0.00000E+00
+ CO(S) + O(S) => CO2(S) + PT(S)             0.13165E-01   0.13165E-01
+ CH4 + 2 PT(S) => CH3(S) + H(S)             0.00000E+00   0.00000E+00
+ CH3(S) + PT(S) => CH2(S)s + H(S)           0.00000E+00   0.00000E+00
+ CH2(S)s + PT(S) => CH(S) + H(S)            0.00000E+00   0.00000E+00
+ CH(S) + PT(S) => C(S) + H(S)               0.00000E+00   0.00000E+00
+ C(S) + O(S) => CO(S) + PT(S)               0.00000E+00   0.00000E+00
+ CO(S) + PT(S) => C(S) + O(S)               0.10366E-06   0.10366E-06