Dev d

YPF2.nml

@@ -15,10 +15,6 @@
         ! CN from which all SCN fractions will be lumped into the specified number of pseudos
     numbers_ps = 5
         ! number of pseudos in which the scn fractions grouped
-    density_setup = .true.
-        ! Logical variable to choose the density calculation method
-    number_plus_density = 6
-        ! CN from which we considered .......
 /
 &nml_components
     def_components = "N2" "CO2" "C1" "C2" "C3" "iC4" "nC4" "iC5" "nC5"  

app/main.f90

@@ -1,22 +1,16 @@
 program main
 
-   !use data_from_input, only: data_from_file, FluidData 
    use characterization
 
    implicit none
 
-   type(FluidDataOut) :: prueba
-   integer :: i
-
-   prueba = characterize(file='PVT5.nml', mw_source="experimental", method = "plus_mw", pho_method = 3 , fix_C=.true., eos='PR')
-   write(*, *) prueba
-   print*, prueba%C, prueba%a, prueba%b, prueba%plus_mw, prueba%plus_z
-   print*, prueba%c_max
-
-   !print*, prueba%a ,  prueba%b , prueba%n_init, prueba%input_data%number_plus_density
-   !do i = 1, size(prueba%mol_fraction)
-   !   print*, prueba%mol_fraction(i)
-   !end do
+   type(FluidDataOut) :: fluid_to_characterize
+
+   fluid_to_characterize=characterize(file='YPF2.nml', mw_source="experimental",&
+      method = "plus_mw", rho_method = 1 , fix_C=.TRUE., eos='PR')
+
+   call general_result( fluid_to_characterize)
+   write(*, *) fluid_to_characterize
 
 end program main
 

app/optimize.f90

@@ -42,7 +42,7 @@ elemental function quad(x, a, b, c)
 end module
 
 
-program oscar
+program test
    use ForTimize, only: pr, minimize
    use my_objective, only: foo, ExpData
 
@@ -62,4 +62,4 @@ program oscar
    ! Print results
    print *, x
    print *, F
-end program oscar
+end program test

app/pedersen.f90

@@ -1,11 +1,11 @@
 module my_objective1
+   !! This module used ForTimize package to optimize the parameters
+   !! for pedersen distribution funtion
    use ForTimize, only: pr
-
-
    type :: ExpData
-      real(pr), allocatable :: x(:)
-      real(pr), allocatable :: zplus(:)
-      real(pr), allocatable :: mplus(:)
+      real(pr), allocatable :: x(:) !! Vector of parameters to optimize
+      real(pr), allocatable :: zplus(:) !! Experimental mole fraction of residual fraction
+      real(pr), allocatable :: mplus(:) !! Experimental molecular weight of residual fraction
    end type ExpData
 
 contains
@@ -20,25 +20,29 @@ subroutine foo(x, F, dF, data)
       class(*), optional, intent(in out) :: data
       !! Special data that the function could use.
 
-      real(pr) :: a, b
-      integer :: i
-      integer, parameter :: n = 181
-      real(pr) :: cn(n)
-      real(pr) :: z_i(n)
-      real(pr) :: m_i(n)
-      real(pr) :: zplus_cal
-      real(pr) :: mplus_cal
-
+      real(pr) :: a, b !! parameters of pedersen distribution funtion 
+      integer :: i !! Iteration variable
+      integer, parameter :: n = 181 !! Parameter for defined maximum carbon number
+      real(pr) :: cn(n) !! Vector of carbon numbers
+      real(pr) :: z_i(n) !! Vector of compositions of residual fraction
+      real(pr) :: m_i(n) !! Vector of molecular weights of residual fraction
+      real(pr) :: zplus_cal !! Mole fraction of plus fraction compute
+      real(pr) :: mplus_cal !! Molecular weight of plus fraction compute
 
+      ! compute the carbon number vector
       do i = 1, n
          cn(i) = 20.0d0 + i - 1
       end do
 
+      ! define parameters to optimizar into x vector 
       a = x(1)
       b = x(2)
 
+      ! compute mole fraction using pedersen linear funtion
       z_i = exp(a*cn+b)
+      ! compute molecular weighth using pedersen linear funtion
       m_i = 14*cn-4
+      ! Sum the values to obtain the residual value
       zplus_cal = sum(z_i)
       mplus_cal = sum(z_i*m_i)/zplus_cal
 
@@ -53,7 +57,8 @@ end subroutine foo
 end module my_objective1
 
 
-program oscar
+program pedersen_characterize
+   !! This program optimizes the parameter of pedersen distribution funtion
    use ForTimize, only: pr, minimize
    use my_objective1, only: foo, ExpData
 
@@ -72,5 +77,5 @@ program oscar
    ! Print results
    print *, x
    print *, F
-   !print*, cn
-end program oscar
+
+end program pedersen_characterize