[1661] | 1 | ! Saturated sulfuric acid vapor pressure |
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| 2 | ! over plane sulfuric acid solution. |
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| 3 | ! |
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| 4 | ! Source: Zeleznik |
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| 5 | ! |
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| 6 | ! Input: TAIR: Temperature (K) |
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| 7 | ! WSA: Weight fraction of H2SO4 [0;1] |
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| 8 | ! Output: H2SO4 vapor pressure |
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| 9 | ! over sulfuric acid solution (Pa) ) |
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| 10 | ! |
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| 11 | ! External functions needed for calculation of activity coefficients |
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| 12 | !**************************************************************** |
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| 13 | |
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| 14 | FUNCTION PSASAS_ZELE(TAIR,WSA) |
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| 15 | |
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| 16 | IMPLICIT NONE |
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| 17 | |
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| 18 | REAL, INTENT(in) :: TAIR,WSA |
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| 19 | REAL :: ADOT,BDOT,CDOT |
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| 20 | REAL :: MMHGPA, PSASAS_ZELE |
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| 21 | REAL :: pstand,x1,lpar,acidps,act(2) |
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| 22 | |
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| 23 | pstand=1.01325D5 !Pa 1 atm pressure |
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| 24 | |
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| 25 | ! Mole fraction needed for zeleznik |
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| 26 | x1=(wsa/98.08D0)/(wsa/98.08D0 + ((1.0-wsa)/18.106D0)) |
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| 27 | |
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| 28 | call zeleznik(x1,tair,act) |
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| 29 | |
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| 30 | ! Pure acid satur vapor pressure |
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| 31 | lpar= -11.695D0+LOG(pstand) ! Zeleznik |
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| 32 | |
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| 33 | acidps=1.0/360.15D0-1.0/tair+0.38D0/545.0D0 & |
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| 34 | & *(1.0+LOG(360.15D0/tair)-360.15D0/tair) |
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| 35 | |
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| 36 | acidps = 10156.0D0*acidps +lpar |
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| 37 | acidps = EXP(acidps) !Pa |
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| 38 | |
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| 39 | ! Sat.vap.pres over mixture (flat surface) in Pa: |
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| 40 | psasas_zele=act(2)*acidps |
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| 41 | |
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| 42 | |
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| 43 | |
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| 44 | RETURN |
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| 45 | END FUNCTION PSASAS_ZELE |
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| 46 | |
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| 47 | !**************************************************************** |
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| 48 | SUBROUTINE Zeleznik(x,T,act) |
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| 49 | |
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| 50 | !+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ |
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| 51 | ! Water and sulfuric acid activities in liquid |
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| 52 | ! aqueous solutions. |
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| 53 | ! Frank J. Zeleznik, Thermodynnamic properties |
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| 54 | ! of the aqueous sulfuric acid system to 220K-350K, |
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| 55 | ! mole fraction 0,...,1 |
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| 56 | ! J. Phys. Chem. Ref. Data, Vol. 20, No. 6,pp.1157, 1991 |
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| 57 | !+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ |
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| 58 | |
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| 59 | IMPLICIT NONE |
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| 60 | |
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| 61 | REAL, INTENT(inout) :: x |
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| 62 | REAL, INTENT(in) :: T |
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| 63 | REAL, INTENT(out), DIMENSION(2):: act |
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| 64 | REAL, external :: activitya, activityw |
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| 65 | |
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| 66 | if (x .gt. 0.99D0) then |
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| 67 | x=0.99D0 |
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| 68 | endif |
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| 69 | |
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| 70 | act(2)=activitya(x,T) |
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| 71 | act(1)=activityw(x,T) |
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| 72 | |
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| 73 | END SUBROUTINE Zeleznik |
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| 74 | |
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| 75 | !**************************************************************** |
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| 76 | FUNCTION activitya(xal,T) |
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| 77 | |
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| 78 | IMPLICIT NONE |
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| 79 | |
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| 80 | REAL, INTENT(in) :: T,xal |
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| 81 | REAL :: activitya |
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| 82 | REAL, external :: lnAa |
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| 83 | |
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| 84 | activitya = EXP(lnAa(xal,T)-lnAa(0.999999,T)) |
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| 85 | |
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| 86 | END FUNCTION activitya |
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| 87 | |
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| 88 | !**************************************************************** |
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| 89 | FUNCTION activityw(xal,T) |
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| 90 | |
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| 91 | IMPLICIT NONE |
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| 92 | |
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| 93 | REAL, intent(in) :: T,xal |
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| 94 | REAL :: activityw |
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| 95 | REAL, external :: lnAw |
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| 96 | |
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| 97 | activityw=EXP(lnAw(xal,T)-lnAw(0.000001,T)) |
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| 98 | |
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| 99 | END FUNCTION activityw |
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| 100 | |
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| 101 | !**************************************************************** |
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| 102 | FUNCTION lnAa(x1,T) |
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| 103 | |
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| 104 | IMPLICIT NONE |
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| 105 | |
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| 106 | REAL :: lnAa |
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| 107 | REAL, INTENT(in) :: T,x1 |
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| 108 | REAL, external :: m111,m121,m221,m122 |
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| 109 | REAL, external :: e111,e121,e211,e122,e212,e221 |
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| 110 | |
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| 111 | lnAa=-( & |
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| 112 | & (2*m111(T)+e111(T)*(2*log(x1)+1))*x1 & |
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| 113 | & +(2*m121(T)+e211(T)*log(1-x1)+e121(T)*(log(x1)+1))*(1-x1) & |
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| 114 | & -(m111(T)+e111(T)*(log(x1)+1))*x1*x1 & |
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| 115 | & -(2*m121(T)+e121(T)*(log(x1)+1)+e211(T)*(log(1-x1)+1) & |
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| 116 | & -(2*m122(T)+e122(T)*log(x1) & |
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| 117 | & +e212(T)*log(1-x1))*(1-x1))*x1*(1-x1) & |
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| 118 | & -(m221(T)+e221(T)*(log(1-x1)+1))*(1-x1)**2 & |
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| 119 | & -x1*(1-x1)*( & |
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| 120 | & (6*m122(T)+e122(T)*(3*log(x1)+1) & |
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| 121 | & +e212(T)*(3*log(1-x1)+1) & |
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| 122 | & )*x1*(1-x1) & |
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| 123 | & -(2*m122(T)+e122(T)*(log(x1)+1) & |
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| 124 | & +e212(T)*log(1-x1) & |
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| 125 | & )*(1-x1)) & |
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| 126 | & ) |
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| 127 | |
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| 128 | END FUNCTION lnAa |
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| 129 | |
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| 130 | !**************************************************************** |
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| 131 | FUNCTION lnAw(x1,T) |
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| 132 | |
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| 133 | IMPLICIT NONE |
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| 134 | |
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| 135 | REAL, intent(in) :: T,x1 |
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| 136 | REAL :: lnAw |
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| 137 | REAL, external :: m111,m121,m221,m122 |
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| 138 | REAL, external :: e111,e121,e211,e122,e212,e221 |
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| 139 | |
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| 140 | lnAw=-( & |
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| 141 | & (2*m121(T)+e121(T)*log(x1)+e211(T)*(log(1-x1)+1))*x1 & |
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| 142 | & +(2*m221(T)+e221(T)*(2*log(1-x1)+1))*(1-x1) & |
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| 143 | & -(m111(T)+e111(T)*(log(x1)+1))*x1*x1 & |
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| 144 | & -(2*m121(T)+e121(T)*(log(x1)+1) & |
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| 145 | & +e211(T)*(log(1-x1)+1))*x1*(1-x1) & |
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| 146 | & -(m221(T)+e221(T)*(log(1-x1)+1))*(1-x1)**2 & |
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| 147 | & +x1*(2*m122(T)+e122(T)*log(x1)+e212(T)*log(1-x1))*x1*(1-x1) & |
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| 148 | & +x1*(1-x1)*((2*m122(T)+e122(T)*log(x1) & |
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| 149 | & +e212(T)*(log(1-x1)+1))*x1 & |
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| 150 | & -(6*m122(T)+e122(T)*(3*log(x1)+1) & |
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| 151 | & +e212(T)*(3*log(1-x1)+1))*(1-x1)*x1) & |
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| 152 | & ) |
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| 153 | |
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| 154 | END FUNCTION lnAw |
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| 155 | !**************************************************************** |
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| 156 | FUNCTION m111(T) |
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| 157 | |
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| 158 | IMPLICIT NONE |
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| 159 | |
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| 160 | REAL, INTENT(in) :: T |
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| 161 | REAL :: m111 |
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| 162 | |
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| 163 | m111=-23.524503387D0 + & |
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| 164 | & 0.0406889449841D0*T - & |
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| 165 | & 0.151369362907D-4*T**2+2961.44445015D0/T + & |
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| 166 | & 0.492476973663D0*log(T) |
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| 167 | |
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| 168 | END FUNCTION m111 |
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| 169 | |
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| 170 | !**************************************************************** |
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| 171 | FUNCTION m121(T) |
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| 172 | |
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| 173 | IMPLICIT NONE |
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| 174 | REAL, INTENT(in) :: T |
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| 175 | REAL :: m121 |
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| 176 | |
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| 177 | m121=1114.58541077D0-1.1833078936D0*T - & |
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| 178 | & 0.00209946114412D0*T**2-246749.842271D0/T + & |
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| 179 | & 34.1234558134D0*log(T) |
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| 180 | |
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| 181 | END FUNCTION m121 |
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| 182 | |
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| 183 | !**************************************************************** |
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| 184 | FUNCTION m221(T) |
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| 185 | |
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| 186 | IMPLICIT NONE |
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| 187 | |
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| 188 | REAL, INTENT(in) :: T |
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| 189 | REAL :: m221 |
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| 190 | |
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| 191 | m221=-80.1488100747D0-0.0116246143257D0*T & |
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| 192 | & +0.606767928954D-5*T**2+3092.72150882D0/T & |
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| 193 | & +12.7601667471D0*log(T) |
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| 194 | |
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| 195 | END FUNCTION m221 |
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| 196 | |
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| 197 | !**************************************************************** |
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| 198 | FUNCTION m122(T) |
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| 199 | |
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| 200 | IMPLICIT NONE |
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| 201 | |
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| 202 | REAL, INTENT(in) :: T |
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| 203 | REAL :: m122 |
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| 204 | |
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| 205 | m122=888.711613784D0-2.50531359687D0*T + & |
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| 206 | & 0.000605638824061D0*T**2-196985.296431D0/T + & |
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| 207 | & 74.550064338D0*log(T) |
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| 208 | |
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| 209 | END FUNCTION m122 |
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| 210 | |
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| 211 | !**************************************************************** |
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| 212 | FUNCTION e111(T) |
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| 213 | |
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| 214 | IMPLICIT NONE |
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| 215 | |
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| 216 | REAL, INTENT(in) :: T |
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| 217 | REAL :: e111 |
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| 218 | |
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| 219 | e111=2887.31663295D0-3.32602457749D0*T & |
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| 220 | & -0.2820472833D-2*T**2-528216.112353D0/T & |
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| 221 | & +0.68699743564D0*log(T) |
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| 222 | |
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| 223 | END FUNCTION e111 |
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| 224 | |
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| 225 | !**************************************************************** |
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| 226 | FUNCTION e121(T) |
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| 227 | |
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| 228 | IMPLICIT NONE |
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| 229 | |
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| 230 | REAL, INTENT(in) :: T |
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| 231 | REAL :: e121 |
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| 232 | |
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| 233 | e121=-370.944593249D0-0.690310834523D0*T & |
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| 234 | & +0.56345508422D-3*T**2-3822.52997064D0/T & |
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| 235 | & +94.2682037574D0*log(T) |
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| 236 | |
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| 237 | END FUNCTION e121 |
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| 238 | |
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| 239 | !**************************************************************** |
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| 240 | FUNCTION e211(T) |
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| 241 | |
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| 242 | IMPLICIT NONE |
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| 243 | |
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| 244 | REAL, INTENT(in) :: T |
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| 245 | REAL :: e211 |
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| 246 | |
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| 247 | e211=38.3025318809D0-0.0295997878789D0*T & |
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| 248 | & +0.120999746782D-4*T**2-3246.97498999D0/T & |
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| 249 | & -3.83566039532D0*log(T) |
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| 250 | |
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| 251 | END FUNCTION e211 |
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| 252 | |
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| 253 | !**************************************************************** |
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| 254 | FUNCTION e221(T) |
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| 255 | |
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| 256 | IMPLICIT NONE |
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| 257 | |
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| 258 | REAL, INTENT(in) :: T |
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| 259 | REAL :: e221 |
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| 260 | |
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| 261 | e221=2324.76399402D0-0.141626921317D0*T & |
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| 262 | & -0.00626760562881D0*T**2-450590.687961D0/T & |
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| 263 | & -61.2339472744D0*log(T) |
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| 264 | |
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| 265 | END FUNCTION e221 |
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| 266 | |
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| 267 | !**************************************************************** |
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| 268 | FUNCTION e122(T) |
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| 269 | |
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| 270 | IMPLICIT NONE |
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| 271 | |
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| 272 | REAL, INTENT(in) :: T |
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| 273 | REAL :: e122 |
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| 274 | |
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| 275 | e122=-1633.85547832D0-3.35344369968D0*T & |
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| 276 | & +0.00710978119903D0*T**2+198200.003569D0/T & |
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| 277 | & +246.693619189D0*log(T) |
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| 278 | |
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| 279 | END FUNCTION e122 |
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| 280 | |
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| 281 | !**************************************************************** |
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| 282 | FUNCTION e212(T) |
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| 283 | |
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| 284 | IMPLICIT NONE |
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| 285 | |
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| 286 | REAL :: e212 |
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| 287 | REAL, INTENT(in) :: T |
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| 288 | |
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| 289 | e212=1273.75159848D0+1.03333898148D0*T & |
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| 290 | & +0.00341400487633D0*T**2+195290.667051D0/T & |
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| 291 | & -431.737442782D0*log(T) |
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| 292 | |
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| 293 | END FUNCTION e212 |
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