MODULE sedco3 #if defined key_sed !!====================================================================== !! *** MODULE sedco3 *** !! Sediment : carbonate in sediment pore water !!===================================================================== !! * Modules used USE sed ! sediment global variable IMPLICIT NONE PRIVATE !! * Routine accessibility PUBLIC sed_co3 !! * Module variables REAL(wp) :: epsmax = 1.e-12 ! convergence limite value !!---------------------------------------------------------------------- !! OPA 9.0 ! NEMO Consortium (2003) !!---------------------------------------------------------------------- !! $Id$ CONTAINS SUBROUTINE sed_co3( kt ) !!---------------------------------------------------------------------- !! *** ROUTINE sed_co3 *** !! !! ** Purpose : carbonate ion and proton concentration !! in sediment pore water !! !! ** Methode : - solving nonlinear equation for [H+] with given alkalinity !! and total co2 !! - one dimensional newton-raphson algorithm for [H+]) !! !! History : !! ! 98-08 (E. Maier-Reimer, Christoph Heinze ) Original code !! ! 04-10 (N. Emprin, M. Gehlen ) coupled with PISCES !! ! 06-04 (C. Ethe) Re-organization !!---------------------------------------------------------------------- !! * Arguments INTEGER, INTENT(in) :: kt ! time step ! !---Local variables INTEGER :: jiter, ji, jk, ipt ! dummy loop indices INTEGER :: itermax ! maximum number of Newton-Raphson iterations INTEGER :: itime ! number of time to perform Newton-Raphson algorithm LOGICAL :: lconv = .FALSE. ! flag for convergence REAL(wp) :: brems ! relaxation. parameter REAL(wp) :: zresm, zresm1, zhipor_min REAL(wp) :: zalk, zbor, zsil, zpo4, zdic REAL(wp) :: zh_old, zh_old2, zh_old3, zh_old4 REAL(wp) :: zuu, zvv, zduu, zdvv REAL(wp) :: zup, zvp, zdup, zdvp REAL(wp) :: zah_old, zah_olds REAL(wp) :: zh_new, zh_new2, zco3 !!---------------------------------------------------------------------- IF( kt == nitsed000 ) THEN WRITE(numsed,*) ' sed_co3 : carbonate ion and proton concentration calculation ' WRITE(numsed,*) ' ' ENDIF itermax = 30 brems = 1. itime = 0 DO jk = 1, jpksed DO WHILE( itime <= 2 ) lconv = .FALSE. IF( itime > 0 ) THEN ! increase max number of iterations and relaxation parameter itermax = 200 !! brems = 0.3 IF( itime == 2 ) hipor(1:jpoce,jk) = 3.e-9 ! re-initilazation of [H] values ENDIF iflag: DO jiter = 1, itermax ! Store previous hi field. zresm = -1.e10 ipt = 1 DO ji = 1, jpoce ! dissociation constant are in mol/kg of solution ! convert pwcp concentration [mol/l] in mol/kg for solution zalk = pwcp(ji,jk,jwalk) / densSW(ji) zh_old = hipor(ji,jk) / densSW(ji) zh_old2 = zh_old * zh_old zh_old3 = zh_old2 * zh_old zh_old4 = zh_old3 * zh_old zbor = borats(ji) / densSW(ji) zsil = pwcp(ji,jk,jwsil) / densSW(ji) zpo4 = pwcp(ji,jk,jwpo4) / densSW(ji) zdic = pwcp(ji,jk,jwdic) / densSW(ji) ! intermediate calculation zuu = zdic * ( ak1s(ji) / zh_old + 2.* ak12s(ji) / zh_old2 ) zvv = 1. + ak1s(ji) / zh_old + ak12s(ji) / zh_old2 zduu = zdic * ( -ak1s(ji) / zh_old2 - 4. * ak12s(ji) / zh_old3 ) zdvv = -ak1s(ji) / zh_old2 - 2. * ak12s(ji) / zh_old3 zup = zpo4 * ( ak12ps(ji) / zh_old2 + 2. * ak123ps(ji) / zh_old3 - 1.) zvp = 1. + ak1ps(ji) / zh_old + ak12ps(ji) / zh_old2 + ak123ps(ji) / zh_old3 zdup = zpo4 * ( -2. * ak12ps(ji) / zh_old3 - 6. * ak123ps(ji) / zh_old4 ) zdvp = -ak1ps(ji) / zh_old2 - 2.* ak12ps(ji) / zh_old3 - 3. * ak123ps(ji) / zh_old4 zah_old = zuu / zvv + zbor / ( 1. + zh_old / akbs(ji) ) + & & akws(ji) / zh_old - zh_old + zsil / ( 1. + zh_old / aksis(ji) ) + & & zup / zvp zah_olds = ( ( zduu * zvv - zdvv * zuu ) / ( zvv * zvv ) ) - & & zbor / akbs(ji) * ( 1. + zh_old / akbs(ji) )**(-2) - & & akws(ji) / zh_old2 - 1. - & & zsil / aksis(ji) * ( 1. + zh_old / aksis(ji) )**(-2) + & & ( ( zdup * zvp - zdvp * zup ) / ( zvp * zvp ) ) ! zh_new = zh_old - brems * ( zah_old - zalk ) / zah_olds ! zresm1 = ABS( zh_new - zh_old ) IF( zresm1 > zresm ) THEN zresm = zresm1 ENDIF ! zh_new2 = zh_new * zh_new zco3 = ( ak12s(ji) * zdic ) / ( ak12s(ji) + ak1s(ji) * zh_new + zh_new2) ! again in mol/l hipor (ji,jk) = zh_new * densSW(ji) co3por(ji,jk) = zco3 * densSW(ji) ENDDO ! end loop ji ! convergence test IF( zresm <= epsmax ) THEN lconv = .TRUE. !minimum value of hipor zhipor_min = MINVAL( hipor(1:jpoce,jk ) ) EXIT iflag ENDIF ENDDO iflag IF( lconv ) THEN ! WRITE(numsed,*) ' convergence after iter =', jiter, ' iterations ; res =',zresm IF( zhipor_min < 0. ) THEN IF ( itime == 0 ) THEN ! WRITE(numsed,*) ' but hipor < 0 ; try one more time for jk = ', jk ! WRITE(numsed,*) ' with re-initialization of initial PH field ' itime = 2 ELSE ! WRITE(numsed,*) ' convergence after iter =', jiter, ' iterations ; res =',zresm ! WRITE(numsed,*) ' but hipor < 0, again for second time for jk = ', jk ! WRITE(numsed,*) ' We stop : STOP ' STOP ENDIF ELSE ! WRITE(numsed,*) ' successfull convergence for level jk = ',jk,& ! & ' after iter =', jiter, ' iterations ; res =',zresm ! WRITE(numsed,*) ' ' itime = 3 ENDIF ELSE itime = itime + 1 WRITE(numsed,*) ' No convergence for jk = ', jk, ' after ', itime, ' try' IF ( itime == 1 ) THEN WRITE(numsed,*) ' try one more time with more iterations and higher relax. value' ELSE IF ( itime == 2 ) THEN WRITE(numsed,*) ' try one more time for with more iterations, higher relax. value' WRITE(numsed,*) ' and with re-initialization of initial PH field ' ELSE WRITE(numsed,*) ' No more... we stop ' STOP ENDIF ENDIF ENDDO ! End of WHILE LOOP ENDDO END SUBROUTINE sed_co3 #else !!====================================================================== !! MODULE sedco3 : Dummy module !!====================================================================== !! $Id$ CONTAINS SUBROUTINE sed_co3( kt ) ! Empty routine INTEGER, INTENT(in) :: kt WRITE(*,*) 'sed_co3: You should not have seen this print! error?', kt END SUBROUTINE sed_co3 !!====================================================================== #endif END MODULE sedco3