SUBROUTINE INTRP3D (P, T, PIDX, TIDX, LOGKARRAY, LOGK) *======================================================================| * Interpolates intermediate LogK(P,T) values from LogK(P,T) array * using specified P, T, and array indices PIDX and TIDX found using * subroutine PT_INDEXER * Copyright 2009, 2024 James Palandri * James Palandri hereby disclaims all copyright interest in the * Subroutine "INTRP3D" (which interpolates intermdiate logK values * from known logK values that bracket the interpolated value). * written by James Palandri * Signature of James Palandri, 31 January 2024 * James Palandri * This file is part of subroutine INTRP3D, and programs Chim-xpt, * Solveq-xpt, Solprint-xpt, and XPT-logK. * INTRP3D is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published * by the Free Software Foundation, either version 3 of the License, * or (at your option) any later version. INTRP3D is distributed in * the hope that it will be useful, but WITHOUT ANY WARRANTY; without * even the implied warranty of MERCHANTABILITY or FITNESS FOR A * PARTICULAR PURPOSE. See the GNU General Public License for more * details. You should have received a copy of the GNU * General Public License along with INTRP3D. If not, see * . *----------------------------------------------------------------------| IMPLICIT NONE INTEGER PDIM, TDIM, PIDX, TIDX, I, J, K, L PARAMETER (PDIM = 37) PARAMETER (TDIM = 36) REAL*8 P, T, PVAL(PDIM), TVAL(TDIM), LOGKARRAY (PDIM,TDIM) REAL*8 SUM, LK(3), LOGK DATA PVal / 1.0d0, 1.0133d0, 2.321d0, 4.758d0, 8.919d0, 15.537d0, + 25.479d0, 39.737d0, 59.432d0, 85.839d0, 120.458d0, + 165.212d0, 200.d0, 250.d0, 300.d0, 350.d0, 400.d0, + 450.d0, 500.d0, 550.d0, 600.d0, 650.d0, 700.d0, + 750.d0, 800.d0, 850.d0, 900.d0, 950.d0, + 1000.d0, 1500.d0, 2000.d0, 2500.d0, 3000.d0, 3500.d0, + 4000.d0, 4500.d0, 5000.d0 / DATA TVal / 0.01d0, 25.d0, 50.d0, 75.d0, 100.d0, 125.d0, 150.d0, + 175.d0, 200.d0, 225.d0, 250.d0, 275.d0, 300.d0, + 325.d0, 350.d0, 400.d0, 410.d0, 420.d0, 430.d0, + 440.d0, 450.d0, 460.d0, 470.d0, 480.d0, 490.d0, + 500.d0, 510.d0, 520.d0, 530.d0, 540.d0, 550.d0, + 560.d0, 570.d0, 580.d0, 590.d0, 600.d0 / *======================================================================| LK(1) = 0.0D0 LK(2) = 0.0D0 LK(3) = 0.0D0 LOGK = 0.0D0 * Interpolate three logk's at grid at the selected pressure, at * temperatures bracketing the selected temperature * Note that lowest TIDX value passed to this subroutine is 3 * and the lowest PIDX value passed is 1. L = 1 DO 500, I = TIDX - 2, TIDX DO 400, J = PIDX, PIDX + 2 SUM = LOGKARRAY(J,I) DO 300, K = PIDX, PIDX + 2 IF (J.NE.K) SUM = SUM*(P-PVAL(K))/(PVAL(J)-PVAL(K)) 300 CONTINUE LK(L) = LK(L) + SUM 400 CONTINUE L = L + 1 500 CONTINUE * Interpolate log k at the selected temperature K = 1 DO 700, I = TIDX - 2, TIDX SUM = LK(K) DO 600, J = TIDX - 2, TIDX IF (I.NE.J) SUM = SUM*(T-TVAL(J))/(TVAL(I)-TVAL(J)) 600 CONTINUE LOGK = LOGK + SUM K = K + 1 700 CONTINUE RETURN END SUBROUTINE INTRP2D (TEMPC, TWARN, MAXT, LGKDAT, LOGK) *======================================================================| * * Interpolates log K(s) at L-V saturation for non-Supcrt L-V data at * 25, 50, 100, 150, 200, 250, 300, 350 * * ---------------------------------------------------------------------| IMPLICIT NONE LOGICAL TWARN INTEGER I, IT, J, MAXTIX, IOUT1 REAL*8 TEMPC, LGKDAT(8), TDATA(8), LOGK, MAXT, SUM DATA TDATA + /25.D0, 50.D0, 100.D0, 150.D0, 200.D0, 250.D0, 300.D0, 350.D0/ *======================================================================| TWARN = .FALSE. **Max TEMPC value and array index for that value (TDATA(8) = 350 currently) IOUT1 = 11 MAXTIX = 8 MAXT = 350.D0 LOGK = 0.D0 IT = 0 **Find highest TEMPC for which data exist, and array index for that TEMPC ** log K = 99999.999 where data do not exist. DO 100, I = 8, 2, -1 IF (LGKDAT(I).EQ.99999.999D0) THEN MAXT = TDATA(I - 1) MAXTIX = I - 1 ENDIF 100 CONTINUE **Flag if Temperaute is outside the range for which log Ks exist in soltherm. IF (TEMPC.GT.TDATA(MAXTIX).OR.TEMPC.LT.TDATA(1)) TWARN = .TRUE. **If logk only at 25C, set logK = LGKDAT(1) IF (MAXTIX.EQ.1) THEN IF (TEMPC.LE.35.D0.AND.TEMPC.GE.10.D0) THEN LOGK = LGKDAT(1) ELSE LOGK = 99999.999D0 ENDIF **Else if logk only at 25 and 50C, inter/extrapolate w/ LGKDAT(1) and LGKDAT(2) ELSE IF (MAXTIX.EQ.2) THEN IF (TEMPC.GE.0.01D0.AND.TEMPC.LE.75.D0) THEN LOGK = LGKDAT(1) + (TEMPC - 25.D0)* + (LGKDAT(2)-LGKDAT(1))/(50.d0-25.D0) ELSE LOGK = 99999.999D0 ENDIF ELSE **Compute desired log K value for the given TEMPC-value (T)....... ** The following should work wherever a mineral has data to 100C or above. ** Find where the desired TEMPC value lies in the TEMPC data array. DO 150, I = 1,7 IF (TEMPC.GT.TDATA(I).AND.TEMPC.LE.TDATA(I+1)) IT = I 150 CONTINUE IF (TEMPC.GT.TDATA(8)) IT = 7 **If TEMPC .gt. the first TEMPC-array value that is 99999.999 or ** .gt. 400C, set logK to 99999.999. Max extrapolation is 50C. * IF (IT.GE.(MAXTIX+1).OR.TEMPC.GT.400.D0) THEN IF (TEMPC.GT.TDATA(MAXTIX)+50.D0.OR.TEMPC.GT.400.D0) THEN LOGK = 99999.999D0 ELSE IF (IT.LT.2) THEN *** If TEMPC .LT. the second TDATA value, use the 3 smallest TDATA values DO 300, I = 1, 3 SUM = LGKDAT(I) DO 200, J = 1,3 IF (I.NE.J) + SUM = SUM*(TEMPC-TDATA(J))/(TDATA(I)-TDATA(J)) 200 CONTINUE LOGK = LOGK + SUM 300 CONTINUE ELSE IF (IT.GT.MAXTIX-1) THEN **** If TEMPC .GT. next to last TDATA value, use 3 largest TDATA values DO 500, I = MAXTIX-2, MAXTIX SUM = LGKDAT(I) DO 400, J = MAXTIX-2, MAXTIX IF (I.NE.J) + SUM = SUM*(TEMPC-TDATA(J))/(TDATA(I)-TDATA(J)) 400 CONTINUE LOGK = LOGK + SUM 500 CONTINUE ELSE **** Else use TDATA values two below, one above TEMPC DO 700, I = IT-1, IT+1 SUM = LGKDAT(I) DO 600, J = IT-1, IT+1 IF (I.NE.J) + SUM = SUM*(TEMPC -TDATA(J))/(TDATA(I)-TDATA(J)) 600 CONTINUE LOGK = LOGK + SUM 700 CONTINUE ENDIF ENDIF RETURN END * GNU GENERAL PUBLIC LICENSE * Version 3, 29 June 2007 * * Copyright (C) 2007 Free Software Foundation, Inc. * Everyone is permitted to copy and distribute verbatim copies * of this license document, but changing it is not allowed. * * Preamble * * The GNU General Public License is a free, copyleft license for * software and other kinds of works. * * The licenses for most software and other practical works are designed * to take away your freedom to share and change the works. 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If not, see . * * Also add information on how to contact you by electronic and paper mail. * * If the program does terminal interaction, make it output a short * notice like this when it starts in an interactive mode: * * Copyright (C) * This program comes with ABSOLUTELY NO WARRANTY; for details type `show w'. * This is free software, and you are welcome to redistribute it * under certain conditions; type `show c' for details. * * The hypothetical commands `show w' and `show c' should show the appropriate * parts of the General Public License. Of course, your program's commands * might be different; for a GUI interface, you would use an "about box". * * You should also get your employer (if you work as a programmer) or school, * if any, to sign a "copyright disclaimer" for the program, if necessary. * For more information on this, and how to apply and follow the GNU GPL, see * . * * The GNU General Public License does not permit incorporating your program * into proprietary programs. If your program is a subroutine library, you * may consider it more useful to permit linking proprietary applications with * the library. If this is what you want to do, use the GNU Lesser General * Public License instead of this License. But first, please read * . *