塩化マグネシウム水溶液と塩化カルシウム水溶液の熱力学的性質の計算プログラム（その1） : Holmes達の式を用いて

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(121) . !"# $%&'()#. .KUV䊒䊨䉫䊤䊛䊥䉴䊃 10000 REM (Mg,Ca)Cl2 10010 REM 2007-11-30 10020 DEFDBL A-H, M-Z 10030 DIM MG(40),II(40),JJ(40),BP(10),BQ(10) 10040 DIM ATZ(4),ADZ(4),AAT(4),AAD(4) 10050 DIM BV(10),A(8),C(18) 10060 DIM QR(11),QT(10),QZR(9),QZT(9) 10070 DIM FFD(2),FFP(5),FFH(5),NNT$(2),NND$(2),NNP$(5),NNH$(5) 10080 DIM DU(10),B0(20),B1(20),CMX(20),CPJ0(10),CPJ1(10),CPJ2(10),CPJ3(10) 10090 DIM B0CA(20),B1CA(20),CCA(20),CPJ0CA(10),CPJ1CA(10),CPJ2CA(10),CPJ3CA(10) 10100 DIM B0MG(20),B1MG(20),CMG(20),CPJ0MG(10),CPJ1MG(10),CPJ2MG(10),CPJ3MG(10) 10110 GOSUB *BLOCKDATA 10120 GOSUB *UNIT 10130 LPRINT"Units" 10140 LPRINT A1$;SPC(3);NT$ 10150 LPRINT A2$;SPC(3);ND$ 10160 LPRINT A3$;SPC(3);NP$ 10170 LPRINT A4$;SPC(3);NH$ 10180 LPRINT 10190 GOSUB *PARAMETERS 10200 INPUT "Which salt do you consider? MgCl2(1) or CaCl2(2)? Input the parenthesized number.";ISALT 10210 IF ISALT<1 OR ISALT>2 THEN GOTO 10200 10220 INPUT"Pressure? If end, input 0";X 10230 IF X=0 THEN GOTO 10810 10240 INPUT"Temperature";TT 10250 T=TT 10260 GOSUB *TTTT 10270 T=TTT 10280 IF T>523.15# THEN PRINT"Temperature>523.15K" : GOTO 10240 10290 RT=GASCON*T 10300 GOSUB *BBT 10310 INPUT "Molality";MOL 10320 PRES=X 10330 PINPUT=PRES/FP 10340 DGSS=PINPUT/T/.4# 10350 DLL=0 : DVV=0 10360 DL=DLL : DLIQ=0 : DVAP=0 10370 GOSUB *PCORRTPDLDV 10380 IF T=<647.126# AND ABS((PINPUT-P)/P)=<5D-005 THEN PPP=PINPUT : GOTO 10590 10390 IF PINPUT>P THEN DGSS=DL:GOTO 10410 10400 IF PINPUT<P THEN PRINT"Input pressure<vap-sat. pressure" : GOTO 10220 10410 D=DGSS : PPP=PINPUT 10420 GOSUB *DFINDDOUTPDTDPD 10430 D=DOUT. .

(122) . . . . 10440 GOSUB *THERMDT 10450 DD=DOUT/FD 10460 H=HD*RT*FH 10470 S=SD*GASCON*FH*FT 10480 G=GD*RT*FH 10490 LPRINT USING"T=+####.####. P=+#####.######. D(water)=+#.#####^^^^^";TT,PRES,DD. 10500 GOSUB *SECDERIVP 10510 GOSUB *DEBYEHUCKEL 10520 LPRINT USING"APHI=+#.####";APHI 10530 LPRINT USING"AH/RT=+##.###";AH/RGAS/T 10540 LPRINT USING"AV=+###.###";AV 10550 IF ISALT=1 THEN LPRINT "Calculation for MgCl2(aq) solution" 10560 IF ISALT=2 THEN LPRINT "Calculation for CaCl2(aq) solution" 10570 GOSUB *MGCA 10580 GOTO 10790 10590 D=DL 10600 GOSUB *DFINDDOUTPDTDPD 10610 D=DOUT 10620 GOSUB *THERMDT 10630 DD=DOUT/FD 10640 H=HD*RT*FH 10650 S=SD*GASCON*FH*FT 10660 DPDT1=DPDT*FP*FT 10670 PRES=PPP*FP 10680 G=GD*RT*FH 10690 LPRINT"Liquid phase at the vapor-saturated pressure" 10700 LPRINT USING"T=+####.####. P=+#####.######. D(water)=+#.#####^^^^^";TT,PRES,DD. 10710 GOSUB *SECDERIVP 10720 GOSUB *DEBYEHUCKEL 10730 LPRINT USING"APHI=+#.####";APHI 10740 LPRINT USING"AH/RT=+##.###";AH/RGAS/T 10750 LPRINT USING"AV=+###.###";AV 10760 IF ISALT=1 THEN LPRINT "Calculation for MgCl2(aq) solution" 10770 IF ISALT=2 THEN LPRINT "Calculation for CaCl2(aq) solution" 10780 GOSUB *MGCA 10790 INPUT"Will you continue the calculation? Input Y(or y) or N(or n)";CAL$ 10800 IF CAL$="Y" OR CAL$="y" THEN LPRINT : LPRINT : PRINT : GOTO 10220 10810 END 10820 䉰䊑䊦䊷䉼䊮䋨*DFINDDOUTPDTDPD䋩 11130 *CORRTPDLDVDELG 11140 IF T>646.3# THEN GOTO 11320 11150 DLIQ=DLL 11160 IF DLL=<0 THEN DLIQ=1.11#-.0004*T 11170 DLL=DLIQ:D=DLIQ 11180 GOSUB *DFINDDOUTPDTDPD. .

(123)

(124)

(125) . !"# $%&'()#. 11190 D=DOUT:DL=DOUT 11200 GOSUB *THERMDT 11210 GL=GD 11220 DVAP=DVV 11230 IF DVV=<0 THEN DVAP=PPP/RT 11240 D=DVAP:DVV=DVAP 11250 GOSUB *DFINDDOUTPDTDPD 11260 IF DOUT<5D-007 THEN DOUT=5D-007 11270 D=DOUT:DV=DOUT 11280 GOSUB *THERMDT 11290 GV=GD 11300 DELG=GL-GV 11310 RETURN 11320 P=0 11330 IF T>647.126# THEN RETURN 11340 DELG=0 11350 TAUC=.657128#*(1#-T/647.126#)^.325# 11360 DL=.322#+TAUC 11370 DV=.322#-TAUC 11380 D=DV 11390 GOSUB *BASEDT 11400 GOSUB *QQTD 11410 ZB=BASEF 11420 PPP=RT*DV*ZB+Q 11430 RETURN 11440 䉰䊑䊦䊷䉼䊮䋨*BBT䋩 11660 *BASEDT 11670 Y=.25#*B1*D 11680 XX=1#-Y 11690 Z0=(1#+ALPHA*Y+BETA*Y*Y)/XX/XX/XX 11700 Z=Z0+4#*Y*(B2/B1-GAMMA) 11710 DZ0=(ALPHA+2#*BETA*Y)/XX/XX/XX+3#*(1#+ALPHA*Y+BETA*Y*Y)/XX/XX/XX/XX 11720 DZB=DZ0+4#*(B2/B1-GAMMA) 11730 AB=(-1#)*LOG(XX)-(BETA-1#)/XX+28.16666667#/XX/XX +4#*Y*(B2/B1-GAMMA)+15.166666667#+LOG(D*T*GASCON/.101325) 11740 GB=AB+Z 11750 BASEF=Z 11760 BB2TT=T*T*B2TT 11770 UB=(-1#)*T*B1T*(Z-1#-D*B2)/B1-D*T*B2T 11780 HB=Z+UB 11790 CVB=2#*UB+(Z0-1#)*((T*B1T/B1)*(T*B1T/B1)-T*T*B1TT/B1) -D*(BB2TT-GAMMA*B1TT*T*T)-(T*B1T/B1)*(T*B1T/B1)*Y*DZ0 11800 DPDTB=BASEF/T+BASEF*D/Z*(DZB*B1T/4#+B2T-B2/B1*B1T) 11810 SB=UB-AB 11820 RETURN. .

(126) . . . . 11830 *QQTD 11840 QR(1)=0 11850 Q5=0 11860 Q=0 11870 AR=0 11880 DADT=0 11890 CVR=0 11900 DPDTR=0 11910 E=EXP((-1#)*AA*D) 11920 Q10=D*D*E 11930 Q20=1#-E 11940 QR(2)=Q10 11950 QV=TZ/T 11960 QT(1)=T/TZ 11970 FOR I=2 TO 10 11980 QR(I+1)=QR(I)*Q20 11990 QT(I)=QT(I-1)*QV 12000 NEXT I 12010 FOR I=1 TO INC 12020 K=II(I)+1 12030 L=JJ(I) 12040 QK=CDBL(K) : QL=CDBL(L) 12050 ZZQ=CDBL(K) 12060 QZR(K-1)=QR(K+1):QZT(L)=QT(L+1):QZR(K)=QR(K+2):QZT(L+1)=QT(L+2) 12070 QP=MG(I)*AA*QZR(K-1)*QZT(L) 12080 Q=Q+QP 12090 Q5=Q5+AA*(2#/D-AA*(1#-E*(QK-1#)/Q20))*QP 12100 AR=AR+MG(I)*QZR(K)*QZT(L)/Q10/ZZQ/RT 12110 DFDT=Q20^QK*(1#-QL)*QZT(L+1)/TZ/QK 12120 D2F=QL*DFDT 12130 DPT=DFDT*Q10*AA*QK/Q20 12140 DADT=DADT+MG(I)*DFDT 12150 DPDTR=DPDTR+MG(I)*DPT 12160 CVR=CVR+MG(I)*D2F/GASCON 12170 NEXT I 12180 QP=0 12190 Q2A=0 12200 FOR J=37 TO 40 12210 IF MG(J)=0 THEN GOTO 12460 12220 K=II(J) 12230 KM=JJ(J) 12240 QK=CDBL(K) : QKM=CDBL(KM) 12250 DDZ=ADZ(J-36) 12260 DEL=D/DDZ-1# 12270 IF ABS(DEL)<1D-010 THEN DEL=1D-010. .

(127)

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(129) . !"# $%&'()#. 12280 DDQQ=DEL*DEL 12290 EX1=(-1#)*AAD(J-36)*DEL^QK 12300 DEX=EXP(EX1)*DEL^QKM 12310 ATT=AAT(J-36) 12320 TX=ATZ(J-36) 12330 TAU=T/TX-1# 12340 EX2=(-1#)*ATT*TAU*TAU 12350 TEX=EXP(EX2) 12360 Q10=DEX*TEX 12370 QM=QKM/DEL-QK*AAD(J-36)*DEL^(QK-1#) 12380 FCT=QM*D*D*Q10/DDZ 12390 Q5T=FCT*(2#/D+QM/DDZ)-(D/DDZ)^2#*Q10*(QKM/DEL/DEL+QK*(QK-1#)*AAD(J-36)*DEL^(QK-2#)) 12400 Q5=Q5+Q5T*MG(J) 12410 QP=QP+MG(J)*FCT 12420 DADT=DADT-2#*MG(J)*ATT*TAU*Q10/TX 12430 DPDTR=DPDTR-2#*MG(J)*ATT*TAU*FCT/TX 12440 Q2A=Q2A+T*MG(J)*(4#*ATT*EX2+2#*ATT)*Q10/TX/TX 12450 AR=AR+Q10*MG(J)/RT 12460 NEXT J 12470 SR=(-1#)*DADT/GASCON 12480 UR=AR+SR 12490 CVR=CVR+Q2A/GASCON 12500 Q=Q+QP 12510 RETURN 12520 䉰䊑䊦䊷䉼䊮䋨*THERMDT䋩 12680 䉰䊑䊦䊷䉼䊮䋨*SECDERIVP䋩 13290 *PST 13300 IF T>314# THEN GOTO 13340 13310 PL=6.3573118#-8858.843#/T+607.56335*T^(-.6#) 13320 PS=.1#*EXP(PL) 13330 RETURN 13340 TR=T/647.25# 13350 W=ABS(1#-TR) 13360 BPST=0 13370 FOR I=1 TO 8 13380 ZPST=CDBL(I) 13390 BPST=BPST+A(I)*W^((ZPST+1#)/2#) 13400 NEXT I 13410 QPST=BPST/TR 13420 PS=22.093*EXP(QPST) 13430 RETURN 13440 *IDEALT 13450 TIDEAL=T/100 13460 TL=LOG(TIDEAL) 13470 GI=(-1#)*(C(1)/TIDEAL+C(2))*TL. .

(130) . . . . 13480 HI=(C(2)+C(1)*(1#-TL)/TIDEAL) 13490 CPI=C(2)-C(1)/TIDEAL 13500 FOR I=3 TO 18 13510 GI=GI-C(I)*TIDEAL^CDBL(I-6) 13520 HI=HI+C(I)*CDBL((I-6))*TIDEAL^CDBL(I-6) 13530 CPI=CPI+C(I)*CDBL((I-6))*CDBL((I-5))*TIDEAL^CDBL(I-6) 13540 NEXT I 13550 AI=GI-1# 13560 UI=HI-1# 13570 CVIX=CPI-1# 13580 SI=UI-AI 13590 RETURN 13600 *PCORRTPDLDV 13610 GOSUB *PST 13620 PPP=PS 13630 GOSUB *CORRTPDLDVDELG 13640 DP=0 13650 DP=DELG*GASCON*T/(1#/DV-1#/DL) 13660 PPP=PPP+DP 13670 IF ABS(DELG)<.0001 THEN GOTO 13690 13680 DLL=DL:DVV=DV:GOTO 13630 13690 P=PPP 13700 RETURN 13710 䉰䊑䊦䊷䉼䊮䋨*UNIT䋩 13990 䉰䊑䊦䊷䉼䊮䋨*TTTT䋩 14070 *BLOCKDATA 14080 FOR I=1 TO 4:READ ATZ(I):NEXT I 14090 DATA 640#,640#,641.6#,270# 14100 FOR I=1 TO 4:READ ADZ(I):NEXT I 14110 DATA 0.319#,0.319#,0.319#,1.55# 14120 FOR I=1 TO 4:READ AAT(I):NEXT I 14130 DATA 2.0D04,2.0D04,4.0D04,25.0# 14140 FOR I=1 TO 4:READ AAD(I):NEXT I 14150 DATA 34.0#,40.0#,30.0#,1.05D+003 14160 WM=18.0152 : GASCON=.461522# : TZ=647.073 : AA=1# : INC=36 14170 UREF=-4328.455039:SREF=7.6180802 14180 ALPHA=11#:BETA=44.333333333333#:GAMMA=3.5# 14190 FOR I=1 TO 10:READ BP(I):NEXT I 14200 DATA 0.7478629#,-0.3540782#,0.0#,0.0#,0.007159876#,0.0#,-0.003528426#,0.0#,0.0#,0.0# 14210 FOR I=1 TO 10:READ BQ(I):NEXT I 14220 DATA 1.1278334#,0.0#,-0.5944001#,-5.010996#,0.0#,0.63684256#,0.0#,0.0#,0.0#,0.0# 14230 FOR I=1 TO 40:READ MG(I):NEXT I 14240 DATA -5.3062968529023D+002,2.2744901424408D+003,7.8779333020687D+002 14250 DATA -6.9830527374994D+001,1.7863832875422D+004,-3.9514731563338D+004 14260 DATA 3.3803884280753D+004,-1.3855050202703D+004,-2.5637436613260D+005. .

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(132)

(133) . !"# $%&'()#. 14270 DATA 4.8212575981415D+005,-3.4183016969660D+005,1.2223156417448D+005 14280 DATA 1.1797433655832D+006,-2.1734810110373D+006,1.0829952168620D+006 14290 DATA -2.5441998064049D+005,-3.1377774947767D+006,5.2911910757704D+006 14300 DATA -1.3802577177877D+006,-2.5109914369001D+005,4.6561826115608D+006 14310 DATA -7.2752773275387D+006,4.1774246148294D+005,1.4016358244614D+006 14320 DATA -3.1555231392127D+006,4.7929666384584D+006,4.0912664781209D+005 14330 DATA -1.3626369388386D+006,6.9625220862664D+005,-1.0834900096447D+006 14340 DATA -2.2722827401688D+005,3.8365486000660D+005,6.8833257944332D+003 14350 DATA 2.1757245522644D+004,-2.6627944829770D+003,-7.0730418082074D+004 14360 DATA -0.225#,-1.68#,0.055#,-93.0# 14370 FOR I=1 TO 40:READ II(I):NEXT I 14380 DATA 0,0,0,0,1,1,1,1,2,2,2,2,3,3,3,3,4,4,4,4,5,5,5,5,6,6,6,6,8,8,8,8,2,2,0,4,2,2,2,4 14390 FOR I=1 TO 40:READ JJ(I):NEXT I 14400 DATA 2,3,5,7,2,3,5,7,2,3,5,7,2,3,5,7,2,3,5,7,2,3,5,7,2,3,5,7,2,3,5,7,1,4,4,4,0,2,0,0 14410 FOR I=1 TO 8:READ A(I):NEXT I 14420 DATA -7.8889166#,2.5514255#,-6.716169#,33.239495# 14430 DATA -105.38479#,174.35319#,-148.39348#,48.631602# 14440 FOR I=1 TO 18:READ C(I):NEXT I 14450 DATA 1.9730271018D+001,2.09662681977D+001,-4.83429455355D-001,6.05743189245D+000 14460 DATA 2.256023885D+001,-9.87532442D+000,-4.3135538513D+000,4.58155781D-001 14470 DATA -4.7754901883D-002,4.1238460633D-003,-2.7929052852D-004 14480 DATA 1.4481695261D-005,-5.6473658748D-007,1.6200446D-008,-3.303822796D-010 14490 DATA 4.51916067368D-012,-3.70734122708D-014,1.37546068238D-016 14500 FOR I=1 TO 2:READ FFD(I):NEXT I 14510 DATA 1.0D-003,1.0# 14520 FOR I=1 TO 5:READ FFP(I):NEXT I 14530 DATA 1.0#,10.0#,9.869232667#,145.038#,10.1971# 14540 FOR I=1 TO 5:READ FFH(I):NEXT I 14550 DATA 1.0#,1.0#,18.0152#,0.23884590#,4.30285666# 14560 FOR I=1 TO 2:READ NNT$(I):NEXT I 14570 DATA " K"," C" 14580 FOR I=1 TO 2:READ NND$(I):NEXT I 14590 DATA " kg/m3"," g/cm3" 14600 FOR I=1 TO 5:READ NNP$(I):NEXT I 14610 DATA ". MPa",". bar",". atm",". PSI","kg/cm2". 14620 FOR I=1 TO 5:READ NNH$(I):NEXT I 14630 DATA " kJ/kg",". J/g"," J/mol"," cal/g","cal/mol". 14640 A1$="TEMPERATURE":A2$="DENSITY":A3$="PRESSURE":A4$="ENERGY" 14650 RETURN 14660 *PARAMETERS 14670 REM Parameters for MgCl2(aq) 14680 FOR I=1 TO 17:READ B0MG(I):READ B1MG(I):READ CMG(I):NEXT I 14690 DATA 4.05500216D-001,0#,-1.31583284D-001 14700 DATA 4.14544383D-003,-1.6737337D-001,-9.58990984D-004 14710 DATA -2.28457183D-004,1.97283577D-002,3.4108859D-004. .

(134) . . . . 14720 DATA -6.33122986D-008,7.53743526D-006,1.28494802D-007 14730 DATA 4.01087176D-005,-3.69607146D-003,-6.44255467D-005 14740 DATA 0#,-2.50381123D-002,-6.73759733D-004 14750 DATA -1.71244107D-003,0#,7.98749531D-004 14760 DATA 1.26084149D-003,0#,-1.18509329D-006 14770 DATA -1.52128885D-001,0#,0# 14780 DATA -3.46378859D-006,1.07765583D-006,0# 14790 DATA 3.70249437D-009,-3.96914481D-009,6.34029223D-012 14800 DATA 2.41466763D-003,0#,0# 14810 DATA -2.29175172D-002,0#,0# 14820 DATA 0#,0#,-5.60197799D-009 14830 DATA 0#,0#,1.7747878D-006 14840 DATA -1.2497591D-010,0#,0# 14850 DATA 3.05038432D-013,0#,1.31968399D-014 14860 REM Parameters for CaCl2(aq) 14870 FOR I=1 TO 17:READ B0CA(I):READ B1CA(I):READ CCA(I):NEXT I 14880 DATA 0#,0#,-1.31583284D-001 14890 DATA 4.14544383D-003,-1.67373370D-001,0# 14900 DATA -2.76747461D-005,1.95851174D-002,2.89257572D-004 14910 DATA 3.37946704D-008,7.51975973D-006,1.28494802D-007 14920 DATA 0#,-3.67501519D-003,-5.62730680D-005 14930 DATA 0#,-2.39198164D-002,-5.94574164D-004 14940 DATA 1.18276629D-003,0#,0# 14950 DATA 1.26084149D-003,0#,-9.58297102D-007 14960 DATA -1.58424548D-001,0#,0# 14970 DATA -3.29726430D-006,1.07765583D-006,0# 14980 DATA 3.37768212D-009,-3.96914481D-009,6.34029223D-012 14990 DATA 2.41466763D-003,0#,0# 15000 DATA -2.29175172D-002,0#,0# 15010 DATA 0#,0#,-5.60197799D-009 15020 DATA 0#,0#,1.77478780D-006 15030 DATA -1.24975910D-010,0#,0# 15040 DATA 3.54502058D-013,0#,0# 15050 FOR I=1 TO 6 : READ CPJ1MG(I): READ CPJ2MG(I) : READ CPJ3MG(I) : NEXT I 15060 DATA 4.07423472D+001,-8.38148908D-002,0# 15070 DATA -2.72444581D+003,9.10259737D+000,0# 15080 DATA -9.72127233D-002,2.20213237D-004,1.81254274D-008 15090 DATA 1.60473548D-004,-2.60875181D-007,0# 15100 DATA -7.61133887D+001,0#,0# 15110 DATA -5.03018030D+003,3.94904571D+000,-1.91527935D-003 15120 FOR I=1 TO 6 : READ CPJ1CA(I): READ CPJ2CA(I) : READ CPJ3CA(I) : NEXT I 15130 DATA 5.28444257D+001,-1.02744655D-001,0# 15140 DATA -4.29572657D+003,1.01105277D+001,0# 15150 DATA -1.27472817D-001,2.92179180D-004,1.81254274D-008 15160 DATA 1.89149250D-004,-3.84715211D-007,0#. .

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(137) . !"# $%&'()#. 15170 DATA -7.61133887D+001,0#,0# 15180 DATA -5.03018030D+003,5.72397675D+000,-1.91527935D-003 15190 FOR I=1 TO 7 : READ CPJ0MG(I) : NEXT I 15200 DATA -1.96343826D+006 15210 DATA 4.20958881D+007 15220 DATA 3.69032606D+005 15230 DATA -1.09727522D+003 15240 DATA 5.68603297D-001 15250 DATA -3.02488974D+004 15260 DATA -1.27725204D+006 15270 FOR I=1 TO 7 : READ CPJ0CA(I) : NEXT I 15280 DATA -1.96357369D+006 15290 DATA 4.21200505D+007 15300 DATA 3.69032606D+005 15310 DATA -1.09727522D+003 15320 DATA 5.68603297D-001 15330 DATA -3.05393606D+004 15340 DATA -1.25806790D+006 15350 DELTACPJ0=72.59# 15360 MGCL2=95.211#: CACL2=110.984 15370 TTR=298.15# 15380 RVGAS=83.1441# : RGAS=8.31441# : MW=18.0152 15390 REM Entropies of ions (Pitzer, 1995) are summed stoichiometrically. 15400 S0MGCL2=-3.084*RGAS :S0CACL2=7.156#*RGAS 15410 FOR I=1 TO 9: READ DU(I) : NEXT I 15420 DATA 3.4279D+002,-5.0866D-003,9.4690D-007,-2.0525#,3.1159D+003 15430 DATA -1.8289D+002,-8.0325D+003,4.2142D+006,2.1417# 15440 EE=4.803242D-010 : BC=1.380662D-016 15450 RETURN 15460 䉰䊑䊦䊷䉼䊮䋨*DEBYEHUCKEL䋩 15840 *MGCA 15910 IF ISALT=1 THEN SALT=MGCL2 : SSALTPRTR=S0MGCL2 : GOTO 15930 15920 IF ISALT=2 THEN SALT=CACL2 : SSALTPRTR=S0CACL2 : GOTO 15960 15930 FOR I=1 TO 17 : B0(I)=B0MG(I) : B1(I)=B1MG(I) : CMX(I)=CMG(I) : NEXT I 15940 FOR I=1 TO 6 : CPJ1(I)=CPJ1MG(I) : CPJ2(I)=CPJ2MG(I) : CPJ3(I)=CPJ3MG(I) : NEXT I 15950 FOR I=1 TO 7 : CPJ0(I)=CPJ0MG(I) : NEXT I : GOTO 15990 15960 FOR I=1 TO 17 : B0(I)=B0CA(I) : B1(I)=B1CA(I) : CMX(I)=CCA(I) : NEXT I 15970 FOR I=1 TO 6 : CPJ1(I)=CPJ1CA(I) : CPJ2(I)=CPJ2CA(I) : CPJ3(I)=CPJ3CA(I) : NEXT I 15980 FOR I=1 TO 7 : CPJ0(I)=CPJ0CA(I) : NEXT I 15990 CPJ0(1)=CPJ0(1)+DELTACPJ0 16000 MI=SQR(3#*MOL) 16010 TL=T-227# 16020 TH=647#-T 16490 ALPHA1=2#-.00181*(T-TTR):ALPHA2=12# 16500 BETA2=(-.5#)*EXP(16.5#-7150/T). .

(138) . . . . 16510 F0(1)=B0(1)+.5#*B0(2)*T+B0(3)*T*T/6#+B0(4)*T*T*T/12#+B0(5)*T*T*(LOG(T)-5#/6#)/6# 16520 F0(1)=F0(1)+B0(6)*(T/2#+3#*227#*227#/2#/T+227#*TL*LOG(TL)/T)+B0(7)*(2#*TH/T+1#)*LOG(TH) 16530 F1(1)=B0(8)+B0(9)/T+B0(10)*T+B0(11)*T*T+B0(12)/TL+B0(13)/TH 16540 F2(1)=B0(14)+B0(15)/T+B0(16)*T+B0(17)*T*T 16550 F0(2)=B1(1)+.5#*B1(2)*T+B1(3)*T*T/6#+B1(4)*T*T*T/12#+B1(5)*T*T*(LOG(T)-5#/6#)/6# 16560 F0(2)=F0(2)+B1(6)*(T/2#+3#*227#*227#/2#/T+227#*TL*LOG(TL)/T)+B1(7)*(2#*TH/T+1#)*LOG(TH) 16570 F1(2)=B1(8)+B1(9)/T+B1(10)*T+B1(11)*T*T+B1(12)/TL+B1(13)/TH 16580 F2(2)=B1(14)+B1(15)/T+B1(16)*T+B1(17)*T*T 16590 F0(3)=CMX(1)+.5#*CMX(2)*T+CMX(3)*T*T/6#+CMX(4)*T*T*T/12#+CMX(5)*T*T*(LOG(T)-5#/6#)/6# 16600 F0(3)=F0(3)+CMX(6)*(T/2#+3#*227#*227#/2#/T+227#*TL*LOG(TL)/T)+CMX(7)*(2#*TH/T+1#)*LOG(TH) 16610 F1(3)=CMX(8)+CMX(9)/T+CMX(10)*T+CMX(11)*T*T+CMX(12)/TL+CMX(13)/TH 16620 F2(3)=CMX(14)+CMX(15)/T+CMX(16)*T+CMX(17)*T*T 16630 BETA0=F0(1)+F1(1)*PRES+F2(1)*PRES*PRES 16640 BETA1=F0(2)+F1(2)*PRES+F2(2)*PRES*PRES 16650 CHM=F0(3)+F1(3)*PRES+F2(3)*PRES*PRES 16660 H1PHI=EXP((-1#)*ALPHA1*MI):H2PHI=EXP((-1#)*ALPHA2*MI) 16670 BPHI=BETA0+BETA1*H1PHI+BETA2*H2PHI 16680 OSC=1#-2*APHI*MI/(1#+1.2#*MI)+(4#/3#)*MOL*BPHI+4#*SQR(2#)*MOL*MOL*CHM/3# 16690 H1G=2#*(1#-(1#+ALPHA1*MI)*H1PHI)/ALPHA1/ALPHA1/MI/MI 16700 H2G=2#*(1#-(1#+ALPHA2*MI)*H2PHI)/ALPHA2/ALPHA2/MI/MI 16710 BG=BETA0+BETA1*H1G+BETA2*H2G 16740 BGM=BG+BPHI 16750 GM1=(-2#)*APHI*(MI/(1#+1.2#*MI)+2#*LOG(1#+1.2#*MI)/1.2#) 16760 GM2=(4#/3#)*MOL*BGM+2#*SQR(2#)*MOL*MOL*CHM 16770 GM=GM1+GM2 16780 GM=EXP(GM) 17530 LPRINT 17600 LPRINT USING"Molality=+#.####";MOL 17620 LPRINT USING" 17630 LPRINT USING". Osmotic coeff. =+#.####";OSC ln(Activity coeff.)=+#.####";LOG(GM). 17710 LPRINT 17720 RETURN. .

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