ELEMENTS O H C N END SPECIES H2 H O O2 OH H2O CH3 CH4 CO CO2 NO N2O N2 END REACTIONS H2 + O = H + OH 4H + O2 = H2 + 2OH H + O = OH H2 + 2O + CH3 = 4H + OH + CO O + CH4 = OH + CH3 H + OH + CO = H2 + CO2 H + OH = H2O 5H + 2NO = 2H2 + O + OH + N2 O + N2O = O2 + N2 END C----------------------------------------------------------------------C C C SUBROUTINE CKWYP (P, T, Y, ICKWRK, RCKWRK, WDOT) C C INPUT C P - Pressure. C cgs units - dynes/cm**2 C Data type - real scalar C T - Temperature. C cgs units - K C Data type - real scalar C Y - Mass fractions of the species. C cgs units - none C Data type - real array C Dimension Y(*) at least KK, the total number of C species. C ICKWRK - Array of integer workspace. C Data type - integer array C Dimension ICKWRK(*) at least LENIWK. C RCKWRK - Array of real work space. C Data type - real array C Dimension RCKWRK(*) at least LENRWK. C C OUTPUT C WDOT - Chemical molar production rates of the species. C cgs units - moles/(cm**3*sec) C Data type - real array C Dimension WDOT(*) at least KK, the total number of C species. C C END PROLOGUE C C*****double precision IMPLICIT DOUBLE PRECISION (A-H, O-Z), INTEGER (I-N) C*****END double precision C*****single precision C IMPLICIT REAL (A-H, O-Z), INTEGER (I-N) C*****END single precision C PARAMETER (IGLO=9,IREAC=279,KK=13) DIMENSION ICKWRK(*), RCKWRK(*), Y(*), WDOT(*) DIMENSION XM(IREAC), RF(IREAC), RB(IREAC), W(IREAC) DIMENSION RKF(IGLO),XCON(KK) DATA SMALL/1.D-50/ if (t .lt. 1200.) then do i=1,9 wdot(i)=0. end do return end if CALL CKYTCP( P, T, Y, ICKWRK, RCKWRK, XCON ) C C SET LOCAL VALUES FOR THE CONCENTRATIONS C XH2 = MAX( XCON(1), SMALL ) XH = MAX( XCON(2), SMALL ) XO = MAX( XCON(3), SMALL ) XO2 = MAX( XCON(4), SMALL ) XOH = MAX( XCON(5), SMALL ) XH2O = MAX( XCON(6), SMALL ) XCH3 = MAX( XCON(7), SMALL ) XCH4 = MAX( XCON(8), SMALL ) XCO = MAX( XCON(9), SMALL ) XCO2 = MAX( XCON(10), SMALL ) XNO = MAX( XCON(11), SMALL ) XN2O = MAX( XCON(12), SMALL ) XN2 = MAX( XCON(13), SMALL ) BIG = 0.0 DO 20 K = 1, KK IF( XCON(K) .GT. 0.0 ) THEN BIG = MAX( BIG, XCON(K) ) ENDIF WDOT(K) = 0.0 20 CONTINUE IF(T .LT. 900.) RETURN C C EFFECTIVE THIRD BODY FOR ALL REACTIONS C CALL THIRDB( XM, XH2, XH, XO, XO2, XOH, XH2O, XCH3, XCH4, XCO, & XCO2, XNO, XN2O, XN2 ) C C SET THE ELEMENTARY RATES C CALL ELEMRATE( RF, RB, T, XM ) C C EXPRESSIONS FOR STEADY-STATE SPECIES C XC2H = 0.D0 XH2CN = 0.D0 XHCNN = 0.D0 XC2H3 = 0.D0 XC2H5 = 0.D0 XC = 0.D0 XCH3O = 0.D0 XCH = 0.D0 XCN = 0.D0 XN = 0.D0 XC2H6 = 0.D0 XNH = 0.D0 XHCCO = 0.D0 XNNH = 0.D0 XCH2OH = 0.D0 XNH2 = 0.D0 XHCCOH = 0.D0 XCH2S = 0.D0 XNCO = 0.D0 XC2H2 = 0.D0 XHOCN = 0.D0 XC2H4 = 0.D0 XHNO = 0.D0 XHCO = 0.D0 XCH2CO = 0.D0 XNO2 = 0.D0 XCH2 = 0.D0 XCH3OH = 0.D0 XH2O2 = 0.D0 XHCNO = 0.D0 XHO2 = 0.D0 XHNCO = 0.D0 XHCN = 0.D0 XCH2O = 0.D0 ADJ = 1.D0/BIG NITER = 20 DO 30 N = 1, NITER CONMAX = 0.0 C STEADY-STATE EXPRESSION FOR C2H VOLD = XC2H ABV = RF(22)*XO*XC2H2 +RB(106)*XH*XHCCO +RF(109)*XOH*XC2H2 + & RB(171)*XCO*XHCO DEN = RB(22)*XOH +RF(106)*XOH +RB(109)*XH2O +RF(171)*XO2 IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XC2H = ABV/DEN DIFF = ABS( (XC2H-VOLD)/MAX(XC2H,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR H2CN VOLD = XH2CN ABV = RF(275)*XCH3*XN +RF(256)*XCH3*XNO +RF(237)*XH*XHCN*XM(237) DEN = RB(275)*XH +RB(256)*XOH +RB(237)*XM(237) IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XH2CN = ABV/DEN DIFF = ABS( (XH2CN-VOLD)/MAX(XH2CN,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR HCNN VOLD = XHCNN ABV = RB(257)*XH*XCO*XN2 +RB(261)*XCH2*XN2 +RB(260)*XH*XHCO*XN2 + & RB(259)*XO*XHCO*XN2 +RF(241)*XCH*XN2 DEN = RF(257)*XO +RF(261)*XH +RF(260)*XOH +RF(259)*XO2 +RB(241) IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XHCNN = ABV/DEN DIFF = ABS( (XHCNN-VOLD)/MAX(XHCNN,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR C2H3 VOLD = XC2H3 ABV = RB(73)*XH2*XC2H2 +RB(111)*XH2O*XC2H2 +RB(24)*XH*XCH2CO + & RF(75)*XH*XC2H4 +RB(173)*XHCO*XCH2O +RF(112)*XOH*XC2H4 + & RF(71)*XH*XC2H2 DEN = RF(73)*XH +RF(111)*XOH +RF(24)*XO +RB(75)*XH2 +RF(173)*XO2 + & RB(112)*XH2O +RB(71) IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XC2H3 = ABV/DEN DIFF = ABS( (XC2H3-VOLD)/MAX(XC2H3,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR C2H5 VOLD = XC2H5 ABV = RF(78)*XH*XC2H6 +RF(27)*XO*XC2H6 +RF(113)*XOH*XC2H6 +RB(26) & *XCH3*XCH2O +RF(159)*XCH3*XCH3 +RF(74)*XH*XC2H4 DEN = RB(78)*XH2 +RB(27)*XOH +RB(113)*XH2O +RF(26)*XO +RB(159)*XH & +RB(74) IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XC2H5 = ABV/DEN DIFF = ABS( (XC2H5-VOLD)/MAX(XC2H5,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR C VOLD = XC ABV = RB(90)*XH*XCO +RB(122)*XO*XCO +RF(49)*XH*XCH DEN = RF(90)*XOH +RF(122)*XO2 +RB(49)*XH2 IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XC = ABV/DEN DIFF = ABS( (XC-VOLD)/MAX(XC,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR CH3O VOLD = XCH3O ABV = RF(69)*XH*XCH3OH +RF(19)*XO*XCH3OH +RB(66)*XOH*XCH3 +RB(170) & *XHO2*XCH2O +RF(155)*XO2*XCH3 +RF(105)*XOH*XCH3OH +RF(57)*XH & *XCH2O DEN = RB(69)*XH2 +RB(19)*XOH +RF(66)*XH +RF(170)*XO2 +RB(155)*XO + & RB(105)*XH2O +RB(57) IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XCH3O = ABV/DEN DIFF = ABS( (XCH3O-VOLD)/MAX(XCH3O,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR CH VOLD = XCH ABV = RB(241)*XHCNN +RB(133)*XH*XCH2CO +RB(130)*XH*XC2H4 +RB(247) & *XH*XNCO +RB(248)*XHCO*XN +RB(246)*XO*XHCN +RB(240)*XN*XHCN & +RB(49)*XH2*XC +RB(132)*XCO*XHCO +RB(125)*XO*XHCO +RF(93) & *XOH*XCH2 +RB(126)*XH*XCH2 +RB(127)*XH*XCH2O DEN = RF(241)*XN2 +RF(133)*XCH2O +RF(130)*XCH4 +RF(247)*XNO + & RF(248)*XNO +RF(246)*XNO +RF(240)*XN2 +RF(49)*XH +RF(132) & *XCO2 +RF(125)*XO2 +RB(93)*XH2O +RF(126)*XH2 +RF(127)*XH2O IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XCH = ABV/DEN DIFF = ABS( (XCH-VOLD)/MAX(XCH,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR CN VOLD = XCN ABV = RB(221)*XH*XHCN +RF(233)*XO*XHCN +RB(217)*XCO*XN +RB(218)*XH & *XNCO +RB(219)*XOH*XHCN +RB(220)*XO*XNCO DEN = RF(221)*XH2 +RB(233)*XOH +RF(217)*XO +RF(218)*XOH +RF(219) & *XH2O +RF(220)*XO2 IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XCN = ABV/DEN DIFF = ABS( (XCN-VOLD)/MAX(XCN,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR N VOLD = XN ABV = RB(275)*XH*XH2CN +RF(217)*XO*XCN +RF(191)*XH*XNH +RF(227) & *XNCO*XM(227) +RF(248)*XCH*XNO +RB(179)*XO*XNO +RF(193)*XOH & *XNH +RF(240)*XCH*XN2 +RB(178)*XO*XN2 +RB(180)*XH*XNO DEN = RF(275)*XCH3 +RB(217)*XCO +RB(191)*XH2 +RB(227)*XCO & *XM(227) +RB(248)*XHCO +RF(179)*XO2 +RB(193)*XH2O +RB(240) & *XHCN +RF(178)*XNO +RF(180)*XOH IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XN = ABV/DEN DIFF = ABS( (XN-VOLD)/MAX(XN,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR C2H6 VOLD = XC2H6 ABV = RB(78)*XH2*XC2H5 +RB(27)*XOH*XC2H5 +RB(113)*XH2O*XC2H5 + & RF(158)*XCH3*XCH3 DEN = RF(78)*XH +RF(27)*XO +RF(113)*XOH +RB(158) IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XC2H6 = ABV/DEN DIFF = ABS( (XC2H6-VOLD)/MAX(XC2H6,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR NH VOLD = XNH ABV = RF(200)*XO*XNH2 +RF(202)*XH*XNH2 +RF(232)*XO*XHCN +RB(194) & *XO*XHNO +RF(262)*XO*XHNCO +RB(191)*XH2*XN +RF(203)*XOH*XNH2 & +RF(223)*XH*XNCO +RB(190)*XH*XNO +RF(208)*XO*XNNH +RB(197) & *XH2*XHNO +RB(192)*XH*XHNO +RB(193)*XH2O*XN +RB(199)*XH*XN2O & DEN = RB(200)*XOH +RB(202)*XH2 +RB(232)*XCO +RF(194)*XO2 +RB(262) & *XCO2 +RF(191)*XH +RB(203)*XH2O +RB(223)*XCO +RF(190)*XO + & RB(208)*XNO +RF(197)*XH2O +RF(192)*XOH +RF(193)*XOH +RF(199) & *XNO IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XNH = ABV/DEN DIFF = ABS( (XNH-VOLD)/MAX(XNH,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR HCCO VOLD = XHCCO ABV = RF(106)*XOH*XC2H +RF(29)*XO*XCH2CO +RB(274)*XCO*XHCNO + & RF(80)*XH*XCH2CO +RB(79)*XCH2S*XCO +RF(114)*XOH*XCH2CO + & RF(21)*XO*XC2H2 +RB(176)*XOH*XCO*XCO +RB(28)*XH*XCO*XCO DEN = RB(106)*XH +RB(29)*XOH +RF(274)*XNO +RB(80)*XH2 +RF(79)*XH + & RB(114)*XH2O +RB(21)*XH +RF(176)*XO2 +RF(28)*XO IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XHCCO = ABV/DEN DIFF = ABS( (XHCCO-VOLD)/MAX(XHCCO,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR NNH VOLD = XNNH ABV = RB(207)*XOH*XN2 +RB(209)*XH2*XN2 +RB(210)*XH2O*XN2 +RB(208) & *XNH*XNO +RB(205)*XH*XN2*XM(205) +RB(206)*XHO2*XN2 +RB(204) & *XH*XN2 DEN = RF(207)*XO +RF(209)*XH +RF(210)*XOH +RF(208)*XO +RF(205) & *XM(205) +RF(206)*XO2 +RF(204) IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XNNH = ABV/DEN DIFF = ABS( (XNNH-VOLD)/MAX(XNNH,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR CH2OH VOLD = XCH2OH ABV = RF(68)*XH*XCH3OH +RF(104)*XOH*XCH3OH +RF(18)*XO*XCH3OH + & RB(62)*XH2O*XCH2S +RB(169)*XHO2*XCH2O +RB(61)*XOH*XCH3 + & RF(56)*XH*XCH2O DEN = RB(68)*XH2 +RB(104)*XH2O +RB(18)*XOH +RF(62)*XH +RF(169)*XO2 & +RF(61)*XH +RB(56) IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XCH2OH = ABV/DEN DIFF = ABS( (XCH2OH-VOLD)/MAX(XCH2OH,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR NH2 VOLD = XNH2 ABV = RB(200)*XOH*XNH +RB(202)*XH2*XNH +RF(268)*XOH*XHNCO +RF(265) & *XH*XHNCO +RB(203)*XH2O*XNH +RB(201)*XH*XHNO DEN = RF(200)*XO +RF(202)*XH +RB(268)*XCO2 +RB(265)*XCO +RF(203) & *XOH +RF(201)*XO IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XNH2 = ABV/DEN DIFF = ABS( (XNH2-VOLD)/MAX(XNH2,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR HCCOH VOLD = XHCCOH ABV = RF(108)*XOH*XC2H2 +RB(82)*XCH2CO*XH DEN = RB(108)*XH +RF(82)*XH IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XHCCOH = ABV/DEN DIFF = ABS( (XHCCOH-VOLD)/MAX(XHCCOH,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR CH2S VOLD = XCH2S ABV = RB(254)*XH*XHCNO +RF(79)*XH*XHCCO +RB(252)*XH*XHNCO +RB(147) & *XCH3OH +RB(146)*XH*XCH3 +RF(62)*XH*XCH2OH +RB(145)*XH2O*XCO & +RB(153)*XCO*XCH2O +RB(148)*XCH2*XH2O +RB(144)*XH*XOH*XCO + & RB(142)*XCH2*XN2 +RF(97)*XOH*XCH3 DEN = RF(254)*XNO +RB(79)*XCO +RF(252)*XNO +RF(147)*XH2O +RF(146) & *XH2 +RB(62)*XH2O +RF(145)*XO2 +RF(153)*XCO2 +RF(148)*XH2O + & RF(144)*XO2 +RF(142)*XN2 +RB(97)*XH2O IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XCH2S = ABV/DEN DIFF = ABS( (XCH2S-VOLD)/MAX(XCH2S,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR NCO VOLD = XNCO ABV = RF(218)*XOH*XCN +RF(220)*XO2*XCN +RF(264)*XO*XHNCO +RF(231) & *XO*XHCN +RF(247)*XCH*XNO +RF(267)*XOH*XHNCO +RB(224)*XH*XCO & *XNO +RB(227)*XCO*XN*XM(227) +RB(222)*XCO*XNO +RB(223)*XCO & *XNH DEN = RB(218)*XH +RB(220)*XO +RB(264)*XOH +RB(231)*XH +RB(247)*XH & +RB(267)*XH2O +RF(224)*XOH +RF(227)*XM(227) +RF(222)*XO + & RF(223)*XH IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XNCO = ABV/DEN DIFF = ABS( (XNCO-VOLD)/MAX(XNCO,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR C2H2 VOLD = XC2H2 ABV = RB(108)*XH*XHCCOH +RB(22)*XOH*XC2H +RF(73)*XH*XC2H3 +RF(111) & *XOH*XC2H3 +RB(107)*XH*XCH2CO +RB(109)*XH2O*XC2H +RF(137) & *XCH2*XCH2 +RB(71)*XC2H3 +RB(21)*XH*XHCCO +RB(23)*XCH2*XCO DEN = RF(108)*XOH +RF(22)*XO +RB(73)*XH2 +RB(111)*XH2O +RF(107) & *XOH +RF(109)*XOH +RB(137)*XH2 +RF(71)*XH +RF(21)*XO +RF(23) & *XO IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XC2H2 = ABV/DEN DIFF = ABS( (XC2H2-VOLD)/MAX(XC2H2,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR HOCN VOLD = XHOCN ABV = RF(234)*XOH*XHCN +RB(273)*XHNCO*XH DEN = RB(234)*XH +RF(273)*XH IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XHOCN = ABV/DEN DIFF = ABS( (XHOCN-VOLD)/MAX(XHOCN,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR C2H4 VOLD = XC2H4 ABV = RB(74)*XC2H5 +RB(75)*XH2*XC2H3 +RF(130)*XCH*XCH4 +RB(25) & *XCH3*XHCO +RB(112)*XH2O*XC2H3 +RF(138)*XCH2*XCH3 DEN = RF(74)*XH +RF(75)*XH +RB(130)*XH +RF(25)*XO +RF(112)*XOH + & RB(138)*XH IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XC2H4 = ABV/DEN DIFF = ABS( (XC2H4-VOLD)/MAX(XC2H4,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR HNO VOLD = XHNO ABV = RF(194)*XO2*XNH +RF(201)*XO*XNH2 +RF(197)*XH2O*XNH +RF(192) & *XOH*XNH +RB(216)*XHO2*XNO +RB(213)*XOH*XNO +RB(214)*XH2*XNO & +RB(215)*XH2O*XNO +RF(212)*XH*XNO*XM(212) DEN = RB(194)*XO +RB(201)*XH +RB(197)*XH2 +RB(192)*XH +RF(216)*XO2 & +RF(213)*XO +RF(214)*XH +RF(215)*XOH +RB(212)*XM(212) IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XHNO = ABV/DEN DIFF = ABS( (XHNO-VOLD)/MAX(XHNO,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR HCO VOLD = XHCO ABV = RF(260)*XOH*XHCNN +RF(161)*XCH3*XCH2O +RF(259)*XO2*XHCNN + & RF(248)*XCH*XNO +RF(171)*XO2*XC2H +RF(15)*XO*XCH2O +RF(173) & *XO2*XC2H3 +RB(160)*XCH4*XCO +RF(25)*XO*XC2H4 +RF(58)*XH & *XCH2O +RF(132)*XCH*XCO2 +RF(101)*XOH*XCH2O +RF(125)*XO2*XCH & +RF(7)*XO*XCH2 +RB(55)*XH2*XCO +RF(135)*XO2*XCH2 +RB(100) & *XH2O*XCO +RB(168)*XHO2*XCO +RB(167)*XH*XCO*XM(167) +RB(166) & *XH*XCO*XH2O DEN = RB(260)*XH*XN2 +RB(161)*XCH4 +RB(259)*XO*XN2 +RB(248)*XN + & RB(171)*XCO +RB(15)*XOH +RB(173)*XCH2O +RF(160)*XCH3 +RB(25) & *XCH3 +RB(58)*XH2 +RB(132)*XCO +RB(101)*XH2O +RB(125)*XO + & RB(7)*XH +RF(55)*XH +RB(135)*XOH +RF(100)*XOH +RF(168)*XO2 + & RF(167)*XM(167) +RF(166)*XH2O IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XHCO = ABV/DEN DIFF = ABS( (XHCO-VOLD)/MAX(XHCO,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR CH2CO VOLD = XCH2CO ABV = RF(82)*XHCCOH*XH +RF(107)*XOH*XC2H2 +RB(29)*XOH*XHCCO + & RB(30)*XCH2*XCO2 +RF(24)*XO*XC2H3 +RB(81)*XCH3*XCO +RB(80) & *XH2*XHCCO +RF(133)*XCH*XCH2O +RB(114)*XH2O*XHCCO +RF(140) & *XCH2*XCO DEN = RB(82)*XH +RB(107)*XH +RF(29)*XO +RF(30)*XO +RB(24)*XH + & RF(81)*XH +RF(80)*XH +RB(133)*XH +RF(114)*XOH +RB(140) IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XCH2CO = ABV/DEN DIFF = ABS( (XCH2CO-VOLD)/MAX(XCH2CO,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR NO2 VOLD = XNO2 ABV = RB(188)*XO2*XNO +RF(186)*XHO2*XNO +RF(187)*XO*XNO*XM(187) + & RB(189)*XOH*XNO DEN = RF(188)*XO +RB(186)*XOH +RB(187)*XM(187) +RF(189)*XH IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XNO2 = ABV/DEN DIFF = ABS( (XNO2-VOLD)/MAX(XNO2,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR CH2 VOLD = XCH2 ABV = RF(261)*XH*XHCNN +RF(30)*XO*XCH2CO +RB(137)*XH2*XC2H2 + & RF(23)*XO*XC2H2 +RB(140)*XCH2CO +RB(250)*XOH*XHCN +RB(251) & *XH*XHCNO +RB(138)*XH*XC2H4 +RB(249)*XH*XHNCO +RF(148)*XCH2S & *XH2O +RF(96)*XOH*XCH3 +RB(93)*XH2O*XCH +RB(7)*XH*XHCO + & RB(92)*XH*XCH2O +RF(126)*XH2*XCH +RF(142)*XCH2S*XN2 +RB(135) & *XOH*XHCO DEN = RB(261)*XN2 +RB(30)*XCO2 +RF(137)*XCH2 +RB(23)*XCO +RF(140) & *XCO +RF(250)*XNO +RF(251)*XNO +RF(138)*XCH3 +RF(249)*XNO + & RB(148)*XH2O +RB(96)*XH2O +RF(93)*XOH +RF(7)*XO +RF(92)*XOH & +RB(126)*XH +RB(142)*XN2 +RF(135)*XO2 IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XCH2 = ABV/DEN DIFF = ABS( (XCH2-VOLD)/MAX(XCH2,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR CH3OH VOLD = XCH3OH ABV = RB(69)*XH2*XCH3O +RB(19)*XOH*XCH3O +RF(147)*XH2O*XCH2S + & RB(68)*XH2*XCH2OH +RB(104)*XH2O*XCH2OH +RB(18)*XOH*XCH2OH + & RB(105)*XH2O*XCH3O +RF(95)*XOH*XCH3 DEN = RF(69)*XH +RF(19)*XO +RB(147) +RF(68)*XH +RF(104)*XOH + & RF(18)*XO +RF(105)*XOH +RB(95) IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XCH3OH = ABV/DEN DIFF = ABS( (XCH3OH-VOLD)/MAX(XCH3OH,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR H2O2 VOLD = XH2O2 ABV = RB(47)*XH2*XHO2 +RB(88)*XH2O*XHO2 +RB(5)*XOH*XHO2 +RF(85) & *XOH*XOH +RB(89)*XH2O*XHO2 DEN = RF(47)*XH +RF(88)*XOH +RF(5)*XO +RB(85) +RF(89)*XOH IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XH2O2 = ABV/DEN DIFF = ABS( (XH2O2-VOLD)/MAX(XH2O2,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR HCNO VOLD = XHCNO ABV = RF(274)*XHCCO*XNO +RF(254)*XCH2S*XNO +RB(271)*XOH*XHCN + & RB(270)*XHNCO*XH +RF(251)*XCH2*XNO DEN = RB(274)*XCO +RB(254)*XH +RF(271)*XH +RF(270)*XH +RB(251)*XH & IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XHCNO = ABV/DEN DIFF = ABS( (XHCNO-VOLD)/MAX(XHCNO,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR HO2 VOLD = XHO2 ABV = RF(216)*XO2*XHNO +RF(206)*XO2*XNNH +RB(186)*XOH*XNO2 + & RF(170)*XO2*XCH3O +RF(47)*XH*XH2O2 +RF(88)*XOH*XH2O2 +RF(5) & *XO*XH2O2 +RF(169)*XO2*XCH2OH +RF(33)*XH*XO2*XM(33) +RB(45) & *XH2*XO2 +RF(89)*XOH*XH2O2 +RF(36)*XH*XO2*XN2 +RF(168)*XO2 & *XHCO +RB(4)*XO2*XOH +RB(46)*XOH*XOH +RF(35)*XH*XO2*XH2O + & RB(87)*XO2*XH2O DEN = RB(216)*XNO +RB(206)*XN2 +RF(186)*XNO +RB(170)*XCH2O +RB(47) & *XH2 +RB(88)*XH2O +RB(5)*XOH +RB(169)*XCH2O +RB(33)*XM(33) + & RF(45)*XH +RB(89)*XH2O +RB(36)*XN2 +RB(168)*XCO +RF(4)*XO + & RF(46)*XH +RB(35)*XH2O +RF(87)*XOH IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XHO2 = ABV/DEN DIFF = ABS( (XHO2-VOLD)/MAX(XHO2,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR HNCO VOLD = XHNCO ABV = RF(235)*XOH*XHCN +RF(273)*XHOCN*XH +RF(270)*XHCNO*XH + & RB(264)*XOH*XNCO +RF(252)*XCH2S*XNO +RB(262)*XCO2*XNH + & RB(267)*XH2O*XNCO +RB(268)*XCO2*XNH2 +RB(265)*XCO*XNH2 + & RF(249)*XCH2*XNO DEN = RB(235)*XH +RB(273)*XH +RB(270)*XH +RF(264)*XO +RB(252)*XH + & RF(262)*XO +RF(267)*XOH +RF(268)*XOH +RF(265)*XH +RB(249)*XH & IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XHNCO = ABV/DEN DIFF = ABS( (XHNCO-VOLD)/MAX(XHNCO,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR HCN VOLD = XHCN ABV = RB(237)*XH2CN*XM(237) +RF(221)*XH2*XCN +RB(235)*XH*XHNCO + & RF(271)*XH*XHCNO +RB(233)*XOH*XCN +RB(234)*XH*XHOCN +RB(232) & *XCO*XNH +RF(255)*XCH3*XNO +RF(219)*XH2O*XCN +RF(250)*XCH2 & *XNO +RF(246)*XCH*XNO +RB(231)*XH*XNCO +RF(240)*XCH*XN2 DEN = RF(237)*XH*XM(237) +RB(221)*XH +RF(235)*XOH +RB(271)*XOH + & RF(233)*XO +RF(234)*XOH +RF(232)*XO +RB(255)*XH2O +RB(219) & *XOH +RB(250)*XOH +RB(246)*XO +RF(231)*XO +RB(240)*XN IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XHCN = ABV/DEN DIFF = ABS( (XHCN-VOLD)/MAX(XHCN,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) C STEADY-STATE EXPRESSION FOR CH2O VOLD = XCH2O ABV = RF(26)*XO*XC2H5 +RB(133)*XH*XCH2CO +RF(173)*XO2*XC2H3 + & RB(161)*XCH4*XHCO +RB(57)*XCH3O +RF(170)*XO2*XCH3O +RF(83) & *XH2*XCO +RF(169)*XO2*XCH2OH +RB(56)*XCH2OH +RF(127)*XH2O & *XCH +RF(153)*XCH2S*XCO2 +RF(92)*XOH*XCH2 +RB(58)*XH2*XHCO + & RB(15)*XOH*XHCO +RF(10)*XO*XCH3 +RB(101)*XH2O*XHCO DEN = RB(26)*XCH3 +RF(133)*XCH +RB(173)*XHCO +RF(161)*XCH3 +RF(57) & *XH +RB(170)*XHO2 +RB(83) +RB(169)*XHO2 +RF(56)*XH +RB(127) & *XH +RB(153)*XCO +RB(92)*XH +RF(58)*XH +RF(15)*XO +RB(10)*XH & +RF(101)*XOH IF( DEN .LT. 1.0 ) DEN = MAX( ADJ*ABV, DEN, SMALL ) XCH2O = ABV/DEN DIFF = ABS( (XCH2O-VOLD)/MAX(XCH2O,VOLD,SMALL) ) CONMAX = MAX( CONMAX, DIFF ) IF( CONMAX .LT. 1.D-5 ) GO TO 35 30 CONTINUE 35 CONTINUE C C NET PRODUCTION RATES FOR SKELETAL MECHANISM C CALL NETRATE( W, RF, RB, XM, XH2, XH, XO, XO2, XOH, XH2O, XHO2, & XH2O2, XC, XCH, XCH2, XCH2S, XCH3, XCH4, XCO, XCO2, & XHCO, XCH2O, XCH2OH, XCH3O, XCH3OH, XC2H, XC2H2, & XC2H3, XC2H4, XC2H5, XC2H6, XHCCO, XCH2CO, XHCCOH, & XN, XNH, XNH2, XNNH, XNO, XNO2, XN2O, XHNO, XCN, & XHCN, XH2CN, XHCNN, XHCNO, XHOCN, XHNCO, XNCO, XN2 ) C C GLOBAL RATES FOR REDUCED MECHANISM C RKF(1) = +W(3) +W(5) -W(15) +W(18) +W(19) -W(23) +W(24) -W(25) & +W(27) -W(28) +W(38) -W(45) +W(46) -W(49) -W(53) -W(55) & +W(56) +W(57) - 2.00*W(58) -W(61) -W(62) -W(66) -W(71) & - 3.00*W(75) -W(80) + 2.00*W(83) +W(84) - 2.00*W(85) & +W(88) +W(89) +W(92) -W(96) +W(99) -W(101) +W(104) & +W(105) +W(111) - 2.00*W(112) +W(113) +W(122) +W(125) & +W(126) +W(127) +W(130) -W(132) +W(135) +W(138) +W(140) & -W(142) +W(146) -W(148) -W(153) + 2.00*W(155) -W(158) & -W(161) -W(169) -W(170) + 2.00*W(173) -W(179) & - 2.00*W(180) -W(182) +W(183) +W(185) -W(187) +W(189) & -W(190) -W(192) +W(193) - 2.00*W(197) -W(201) -W(202) & -W(208) -W(209) -W(214) -W(219) +W(220) - 2.00*W(222) & -W(223) - 2.00*W(224) +W(231) +W(233) + 2.00*W(237) & +W(240) +W(246) + 2.00*W(247) + 2.00*W(248) +W(249) & +W(250) +W(251) + 2.00*W(256) +W(259) +W(262) +W(264) & +W(267) +W(268) RKF(2) = +W(4) -W(33) -W(35) -W(36) +W(38) +W(45) + 2.00*W(46) & - 2.00*W(85) +W(87) +W(122) +W(125) +W(135) +W(144) & +W(145) +W(155) -W(168) -W(169) -W(170) +W(171) +W(173) & +W(176) +W(179) +W(182) +W(183) +W(185) +W(186) -W(187) & +W(189) -W(192) -W(197) -W(199) -W(201) -W(206) -W(212) & +W(213) +W(214) +W(215) +W(220) +W(259) RKF(3) = +W(7) + 2.00*W(15) +W(23) +W(25) +W(28) +W(33) +W(35) & +W(36) - 2.00*W(38) - 2.00*W(46) +W(52) -W(56) -W(57) & + 2.00*W(58) + 2.00*W(61) +W(62) + 2.00*W(66) +W(71) & +W(75) -W(83) -W(84) + 3.00*W(85) -W(86) -W(87) -W(88) & -W(89) -W(92) -W(95) -W(97) -W(98) -W(99) -W(100) & +W(101) -W(104) -W(105) -W(109) -W(111) -W(113) -W(114) & - 2.00*W(122) - 2.00*W(125) -W(126) -W(127) -W(130) & +W(132) -W(135) +W(142) -W(144) -W(145) +W(148) +W(153) & - 4.00*W(155) +W(158) + 2.00*W(161) -W(166) -W(167) & + 2.00*W(169) + 2.00*W(170) - 2.00*W(173) -W(176) & + 2.00*W(180) - 2.00*W(183) - 3.00*W(185) + 3.00*W(187) & - 2.00*W(189) + 2.00*W(190) + 2.00*W(192) -W(193) & + 3.00*W(197) + 2.00*W(199) + 2.00*W(201) -W(203) & -W(204) -W(205) -W(210) +W(212) -W(215) +W(219) & - 2.00*W(220) + 2.00*W(222) +W(224) -W(227) -W(237) & - 2.00*W(240) - 2.00*W(246) - 2.00*W(247) - 2.00*W(248) & -W(249) -W(250) -W(251) -W(255) - 2.00*W(256) & - 2.00*W(259) -W(262) -W(267) -W(268) RKF(4) = +W(10) -W(61) -W(66) +W(75) -W(81) +W(95) +W(96) +W(97) & +W(112) -W(146) +W(155) +W(158) +W(159) -W(237) +W(255) RKF(5) = +W(11) -W(52) +W(53) +W(98) +W(130) -W(160) -W(161) RKF(6) = +W(30) +W(99) -W(132) -W(153) +W(262) +W(268) RKF(7) = +W(43) +W(56) +W(57) -W(61) -W(66) +W(84) +W(86) +W(87) & +W(88) +W(89) +W(93) +W(95) +W(96) +W(97) +W(98) +W(100) & +W(101) +W(104) +W(105) +W(109) +W(111) +W(112) +W(113) & +W(114) -W(127) +W(145) +W(155) -W(169) -W(170) +W(193) & -W(197) +W(203) +W(210) +W(215) -W(219) +W(255) +W(267) RKF(8) = +W(178) -W(182) +W(199) -W(208) -W(240) RKF(9) = +W(181) +W(182) +W(183) +W(185) -W(199) C C REDUCED MECHANISM C C H2 + O = H + OH C 4H + O2 = H2 + 2OH C H + O = OH C H2 + 2O + CH3 = 4H + OH + CO C O + CH4 = OH + CH3 C H + OH + CO = H2 + CO2 C H + OH = H2O C 5H + 2NO = 2H2 + O + OH + N2 C O + N2O = O2 + N2 C C SPECIES PRODUCTION RATES C C H2 WDOT(1) = - RKF(1) + RKF(2) - RKF(4) + RKF(6) + 2.00*RKF(8) C H WDOT(2) = + RKF(1) - 4.00*RKF(2) - RKF(3) + 4.00*RKF(4) - RKF(6) & - RKF(7) - 5.00*RKF(8) C O WDOT(3) = - RKF(1) - RKF(3) - 2.00*RKF(4) - RKF(5) + RKF(8) & - RKF(9) C O2 WDOT(4) = - RKF(2) + RKF(9) C OH WDOT(5) = + RKF(1) + 2.00*RKF(2) + RKF(3) + RKF(4) + RKF(5) & - RKF(6) - RKF(7) + RKF(8) C H2O WDOT(6) = + RKF(7) C CH3 WDOT(7) = - RKF(4) + RKF(5) C CH4 WDOT(8) = - RKF(5) C CO WDOT(9) = + RKF(4) - RKF(6) C CO2 WDOT(10) = + RKF(6) C NO WDOT(11) = - 2.00*RKF(8) C N2O WDOT(12) = - RKF(9) C N2 WDOT(13) = + RKF(8) + RKF(9) RETURN END SUBROUTINE THIRDB( XM, XH2, XH, XO, XO2, XOH, XH2O, XCH3, XCH4, & XCO, XCO2, XNO, XN2O, XN2 ) C*****double precision IMPLICIT DOUBLE PRECISION (A-H, O-Z), INTEGER (I-N) C*****END double precision C*****single precision C IMPLICIT REAL (A-H, O-Z), INTEGER (I-N) C*****END single precision DIMENSION XM(*) C C EFFECTIVE THIRD BODY FOR ALL REACTIONS C XM(33) = +XH2+XH+XO+XOH+XCH3+XCH4+ 0.750*XCO+ 1.500*XCO2+XNO+XN2O XM(43) = + 0.730*XH2+XH+XO+XO2+XOH+ 3.650*XH2O+XCH3+ 2.000*XCH4 & +XCO+XCO2+XNO+XN2O+XN2 XM(52) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(56) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(57) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(71) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(74) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(83) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(85) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(95) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(140) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(147) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(158) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(167) = + 2.000*XH2+XH+XO+XO2+XOH+XCH3+ 2.000*XCH4+ 1.500*XCO & + 2.000*XCO2+XNO+XN2O+XN2 XM(185) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(187) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(205) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(212) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(227) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(237) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 XM(241) = + 2.000*XH2+XH+XO+XO2+XOH+ 6.000*XH2O+XCH3+ 2.000*XCH4 & + 1.500*XCO+ 2.000*XCO2+XNO+XN2O+XN2 RETURN END SUBROUTINE ELEMRATE( RF, RB, T, XM ) C*****double precision IMPLICIT DOUBLE PRECISION (A-H, O-Z), INTEGER (I-N) C*****END double precision C*****single precision C IMPLICIT REAL (A-H, O-Z), INTEGER (I-N) C*****END single precision DIMENSION RF(*), RB(*), XM(*) C RATE CONSTANTS FOR SKELETAL MECHANSIM RUC = 8.31451D0/4.184D0 ALOGT = DLOG(T) RTR = 1.0D3/(RUC*T) RF(3) = 5.000D+04 * EXP( 2.670*ALOGT - 6.29000*RTR ) RB(3) = EXP(+(-2.23489D+07)/T/T/T+( 2.80492D+05)/T/T & +(-3.94618D+03)/T+( 2.82285D+01)+( 2.13355D-03)*T & +(-4.33965D-07)*T*T+( 4.54247D-11)*T*T*T) RF(4) = 2.000D+13 RB(4) = EXP(+( 5.92451D+05)/T/T/T+(-3.41134D+04)/T/T & +(-2.65087D+04)/T+( 3.02310D+01)+( 4.08842D-04)*T & +(-8.62910D-08)*T*T+( 9.70706D-12)*T*T*T) RF(5) = 9.630D+06 * EXP( 2.000*ALOGT - 4.00000*RTR ) RB(5) = EXP(+(-1.30325D+07)/T/T/T+( 1.53786D+05)/T/T & +(-1.04088D+04)/T+( 2.69031D+01)+( 2.32010D-03)*T & +(-4.64925D-07)*T*T+( 4.48793D-11)*T*T*T) RF(7) = 8.000D+13 RB(7) = EXP(+(-1.03571D+07)/T/T/T+( 1.21403D+05)/T/T & +(-4.64114D+04)/T+( 3.49933D+01)+(-7.79879D-04)*T & +( 2.10360D-07)*T*T+(-2.33865D-11)*T*T*T) RF(10) = 8.430D+13 RB(10) = EXP(+(-1.45276D+07)/T/T/T+( 1.77812D+05)/T/T & +(-3.52415D+04)/T+( 3.59934D+01)+(-7.92692D-04)*T & +( 2.06574D-07)*T*T+(-2.21450D-11)*T*T*T) RF(11) = 1.020D+09 * EXP( 1.500*ALOGT - 8.60000*RTR ) RB(11) = EXP(+( 1.95738D+07)/T/T/T+(-2.19284D+05)/T/T & +(-2.40285D+03)/T+( 2.50874D+01)+( 1.87962D-03)*T & +(-2.71623D-07)*T*T+( 2.25030D-11)*T*T*T) RF(15) = 3.900D+13 * EXP( - 3.54000*RTR ) RB(15) = EXP(+( 1.73749D+07)/T/T/T+(-2.19790D+05)/T/T & +(-7.96059D+03)/T+( 2.63453D+01)+( 6.78941D-04)*T & +(-1.02404D-07)*T*T+( 6.90075D-12)*T*T*T) RF(18) = 3.880D+05 * EXP( 2.500*ALOGT - 3.10000*RTR ) RB(18) = EXP(+( 8.23274D+06)/T/T/T+(-9.96787D+04)/T/T & +(-4.53584D+03)/T+( 2.44522D+01)+( 2.63451D-03)*T & +(-4.77102D-07)*T*T+( 4.40625D-11)*T*T*T) RF(19) = 1.300D+05 * EXP( 2.500*ALOGT - 5.00000*RTR ) RB(19) = EXP(+(-1.89709D+07)/T/T/T+( 2.19199D+05)/T/T & +(-3.04453D+03)/T+( 2.70742D+01)+( 2.08815D-03)*T & +(-3.44251D-07)*T*T+( 2.74880D-11)*T*T*T) RF(21) = 1.020D+07 * EXP( 2.000*ALOGT - 1.90000*RTR ) RB(21) = EXP(+(-1.46891D+07)/T/T/T+( 1.84717D+05)/T/T & +(-1.20731D+04)/T+( 3.00062D+01)+( 1.00615D-03)*T & +(-8.90544D-08)*T*T+( 3.91193D-12)*T*T*T) RF(22) = 4.600D+19 * EXP( -1.410*ALOGT - 28.95000*RTR ) RB(22) = EXP(+( 1.01289D+07)/T/T/T+(-1.92905D+05)/T/T & +( 2.19999D+03)/T+( 3.03345D+01)+(-1.97314D-04)*T & +(-2.89392D-08)*T*T+( 7.84947D-12)*T*T*T) RF(23) = 1.020D+07 * EXP( 2.000*ALOGT - 1.90000*RTR ) RB(23) = EXP(+(-2.88069D+07)/T/T/T+( 2.98392D+05)/T/T & +(-2.59020D+04)/T+( 2.56523D+01)+( 2.72769D-03)*T & +(-5.32393D-07)*T*T+( 5.50080D-11)*T*T*T) RF(24) = 3.000D+13 RB(24) = EXP(+( 1.06166D+07)/T/T/T+(-1.35563D+05)/T/T & +(-4.50278D+04)/T+( 3.52174D+01)+(-5.71421D-04)*T & +( 1.66026D-07)*T*T+(-1.94609D-11)*T*T*T) RF(25) = 1.920D+07 * EXP( 1.830*ALOGT - 0.22000*RTR ) RB(25) = EXP(+(-1.15317D+07)/T/T/T+( 6.96782D+04)/T/T & +(-1.41140D+04)/T+( 2.30488D+01)+( 2.51186D-03)*T & +(-4.79218D-07)*T*T+( 4.75268D-11)*T*T*T) RF(26) = 1.320D+14 RB(26) = EXP(+(-5.58411D+06)/T/T/T+( 1.20929D+04)/T/T & +(-3.94571D+04)/T+( 3.11836D+01)+( 9.58585D-04)*T & +(-2.04178D-07)*T*T+( 2.15354D-11)*T*T*T) RF(27) = 8.980D+07 * EXP( 1.920*ALOGT - 5.69000*RTR ) RB(27) = EXP(+( 1.19559D+06)/T/T/T+(-1.20562D+04)/T/T & +(-4.09241D+03)/T+( 2.49785D+01)+( 2.32012D-03)*T & +(-4.30151D-07)*T*T+( 4.01341D-11)*T*T*T) RF(28) = 1.000D+14 RB(28) = EXP(+(-1.11426D+07)/T/T/T+( 6.32901D+04)/T/T & +(-5.19314D+04)/T+( 3.02585D+01)+( 1.25135D-03)*T & +(-2.39710D-07)*T*T+( 2.50928D-11)*T*T*T) RF(29) = 1.000D+13 * EXP( - 8.00000*RTR ) RB(29) = EXP(+( 1.13827D+07)/T/T/T+(-1.48793D+05)/T/T & +(-1.51461D+03)/T+( 2.54177D+01)+( 6.88118D-04)*T & +(-9.85504D-08)*T*T+( 5.79617D-12)*T*T*T) RF(30) = 1.750D+12 * EXP( - 1.35000*RTR ) RB(30) = EXP(+(-8.73406D+05)/T/T/T+(-4.42754D+03)/T/T & +(-2.49305D+04)/T+( 2.70007D+01)+( 8.25676D-04)*T & +(-1.73313D-07)*T*T+( 1.79626D-11)*T*T*T) RF(33) = 2.800D+18 * EXP( -0.860*ALOGT ) RB(33) = EXP(+( 1.95829D+06)/T/T/T+(-8.96287D+02)/T/T & +(-2.42563D+04)/T+( 3.69564D+01)+(-5.18190D-04)*T & +( 2.28756D-08)*T*T+( 4.24094D-14)*T*T*T) RF(35) = 9.380D+18 * EXP( -0.760*ALOGT ) RB(35) = EXP(+( 1.17500D+06)/T/T/T+( 9.02041D+03)/T/T & +(-2.43202D+04)/T+( 3.88448D+01)+(-4.37890D-04)*T & +( 7.12568D-09)*T*T+( 1.62640D-12)*T*T*T) RF(36) = 3.750D+20 * EXP( -1.720*ALOGT ) RB(36) = EXP(+( 8.69457D+06)/T/T/T+(-8.61799D+04)/T/T & +(-2.37070D+04)/T+( 3.60112D+01)+(-1.20877D-03)*T & +( 1.58325D-07)*T*T+(-1.35799D-11)*T*T*T) RF(38) = 8.300D+13 * EXP( - 14.41300*RTR ) RB(38) = EXP(+( 6.16394D+06)/T/T/T+(-8.58077D+04)/T/T & +( 1.65979D+03)/T+( 2.81102D+01)+( 8.34323D-04)*T & +(-2.27071D-07)*T*T+( 2.60752D-11)*T*T*T) RF(43) = 2.200D+22 * EXP( -2.000*ALOGT ) RB(43) = EXP(+( 2.90282D+06)/T/T/T+(-4.02691D+04)/T/T & +(-5.90676D+04)/T+( 4.05688D+01)+(-1.19039D-03)*T & +( 1.28742D-07)*T*T+(-8.88854D-12)*T*T*T) RF(45) = 2.800D+13 * EXP( - 1.06800*RTR ) RB(45) = EXP(+( 2.02756D+06)/T/T/T+(-4.98290D+04)/T/T & +(-2.79704D+04)/T+( 3.12979D+01)+( 4.19299D-04)*T & +(-7.28496D-08)*T*T+( 6.57497D-12)*T*T*T) RF(46) = 1.340D+14 * EXP( - 0.63500*RTR ) RB(46) = EXP(+( 6.75639D+06)/T/T/T+(-1.19921D+05)/T/T & +(-1.79156D+04)/T+( 2.81934D+01)+( 1.24317D-03)*T & +(-3.13362D-07)*T*T+( 3.57823D-11)*T*T*T) RF(47) = 1.210D+07 * EXP( 2.000*ALOGT - 5.20000*RTR ) RB(47) = EXP(+(-1.15974D+07)/T/T/T+( 1.38071D+05)/T/T & +(-1.19370D+04)/T+( 2.78618D+01)+( 2.33056D-03)*T & +(-4.51484D-07)*T*T+( 4.17473D-11)*T*T*T) RF(49) = 1.100D+14 RB(49) = EXP(+( 4.09971D+06)/T/T/T+(-3.92623D+04)/T/T & +(-1.17301D+04)/T+( 3.32169D+01)+( 7.79596D-05)*T & +( 3.94975D-08)*T*T+(-7.78065D-12)*T*T*T) RFH52 = 1.270D+16 * EXP( -0.630*ALOGT - 0.38300*RTR ) RFL52 = 2.477D+33 * EXP( -4.760*ALOGT - 2.44000*RTR ) PR = RFL52*XM(52)/RFH52 PRLOG = DLOG10(PR) F4 = 0.7830 F5 = 74.00 F6 = 2941.00 F7 = 6964.00 FC = (1.0-F4)*EXP(-T/F5)+F4*EXP(-T/F6)+EXP(-F7/T) FCLOG = DLOG10(FC) CPRLOG = PRLOG - (0.4 + 0.67*FCLOG) X = CPRLOG/(0.75-1.27*FCLOG-0.14*CPRLOG) F = 10.0**( FCLOG/(1.0+X*X) ) PCOR = PR*F/(1.0+PR) RF(52) = RFH52*PCOR RB(52) = EXP(+(-3.05740D+07)/T/T/T+( 3.55834D+05)/T/T & +(-5.39874D+04)/T+( 3.85737D+01)+(-5.99776D-04)*T & +(-6.42667D-08)*T*T+( 1.46495D-11)*T*T*T) RB(52) = RB(52)*PCOR RF(53) = 6.600D+08 * EXP( 1.620*ALOGT - 10.84000*RTR ) RB(53) = EXP(+( 2.00690D+07)/T/T/T+(-2.23100D+05)/T/T & +(-4.53102D+03)/T+( 2.61978D+01)+( 1.98643D-03)*T & +(-2.77081D-07)*T*T+( 2.12717D-11)*T*T*T) RF(55) = 7.340D+13 RB(55) = EXP(+( 1.05819D+07)/T/T/T+(-1.37230D+05)/T/T & +(-4.39297D+04)/T+( 3.19804D+01)+( 9.01373D-04)*T & +(-1.92155D-07)*T*T+( 1.76229D-11)*T*T*T) RFH56 = 5.400D+11 * EXP( 0.454*ALOGT - 3.60000*RTR ) RFL56 = 1.270D+32 * EXP( -4.820*ALOGT - 6.53000*RTR ) PR = RFL56*XM(56)/RFH56 PRLOG = DLOG10(PR) F4 = 0.7187 F5 = 103.00 F6 = 1291.00 F7 = 4160.00 FC = (1.0-F4)*EXP(-T/F5)+F4*EXP(-T/F6)+EXP(-F7/T) FCLOG = DLOG10(FC) CPRLOG = PRLOG - (0.4 + 0.67*FCLOG) X = CPRLOG/(0.75-1.27*FCLOG-0.14*CPRLOG) F = 10.0**( FCLOG/(1.0+X*X) ) PCOR = PR*F/(1.0+PR) RF(56) = RFH56*PCOR RB(56) = EXP(+( 7.46324D+06)/T/T/T+(-5.82414D+04)/T/T & +(-1.64005D+04)/T+( 2.94363D+01)+( 3.63048D-04)*T & +(-1.20138D-07)*T*T+( 1.32405D-11)*T*T*T) RB(56) = RB(56)*PCOR RFH57 = 5.400D+11 * EXP( 0.454*ALOGT - 2.60000*RTR ) RFL57 = 2.200D+30 * EXP( -4.800*ALOGT - 5.56000*RTR ) PR = RFL57*XM(57)/RFH57 PRLOG = DLOG10(PR) F4 = 0.7580 F5 = 94.00 F6 = 1555.00 F7 = 4200.00 FC = (1.0-F4)*EXP(-T/F5)+F4*EXP(-T/F6)+EXP(-F7/T) FCLOG = DLOG10(FC) CPRLOG = PRLOG - (0.4 + 0.67*FCLOG) X = CPRLOG/(0.75-1.27*FCLOG-0.14*CPRLOG) F = 10.0**( FCLOG/(1.0+X*X) ) PCOR = PR*F/(1.0+PR) RF(57) = RFH57*PCOR RB(57) = EXP(+(-1.97404D+07)/T/T/T+( 2.60636D+05)/T/T & +(-1.34499D+04)/T+( 3.31518D+01)+(-1.83310D-04)*T & +( 1.27130D-08)*T*T+(-3.33405D-12)*T*T*T) RB(57) = RB(57)*PCOR RF(58) = 2.300D+10 * EXP( 1.050*ALOGT - 3.27500*RTR ) RB(58) = EXP(+( 1.05855D+07)/T/T/T+(-1.31380D+05)/T/T & +(-9.42217D+03)/T+( 2.67734D+01)+( 1.53255D-03)*T & +(-2.54337D-07)*T*T+( 2.04006D-11)*T*T*T) RF(61) = 1.200D+13 RB(61) = EXP(+(-6.77346D+05)/T/T/T+(-2.42745D+04)/T/T & +(-1.77373D+03)/T+( 2.67779D+01)+( 1.37544D-03)*T & +(-3.56806D-07)*T*T+( 3.94676D-11)*T*T*T) RF(62) = 6.000D+12 RB(62) = EXP(+(-4.43259D+06)/T/T/T+( 3.43571D+03)/T/T & +(-1.58107D+03)/T+( 2.58398D+01)+( 1.82492D-03)*T & +(-4.46096D-07)*T*T+( 4.74746D-11)*T*T*T) RF(66) = 3.200D+13 RB(66) = EXP(+( 2.65263D+07)/T/T/T+(-3.43152D+05)/T/T & +(-4.22115D+03)/T+( 2.40432D+01)+( 1.92180D-03)*T & +(-4.89656D-07)*T*T+( 5.60422D-11)*T*T*T) RF(68) = 1.700D+07 * EXP( 2.100*ALOGT - 4.87000*RTR ) RB(68) = EXP(+( 1.28010D+07)/T/T/T+(-1.55061D+05)/T/T & +(-6.09539D+03)/T+( 2.62451D+01)+( 2.32377D-03)*T & +(-4.00661D-07)*T*T+( 3.45945D-11)*T*T*T) RF(69) = 4.200D+06 * EXP( 2.100*ALOGT - 4.87000*RTR ) RB(69) = EXP(+(-1.44027D+07)/T/T/T+( 1.63817D+05)/T/T & +(-3.64797D+03)/T+( 2.85624D+01)+( 1.77741D-03)*T & +(-2.67810D-07)*T*T+( 1.80199D-11)*T*T*T) RFH71 = 5.600D+12 * EXP( - 2.40000*RTR ) RFL71 = 3.800D+40 * EXP( -7.270*ALOGT - 7.22000*RTR ) PR = RFL71*XM(71)/RFH71 PRLOG = DLOG10(PR) F4 = 0.7507 F5 = 98.50 F6 = 1302.00 F7 = 4167.00 FC = (1.0-F4)*EXP(-T/F5)+F4*EXP(-T/F6)+EXP(-F7/T) FCLOG = DLOG10(FC) CPRLOG = PRLOG - (0.4 + 0.67*FCLOG) X = CPRLOG/(0.75-1.27*FCLOG-0.14*CPRLOG) F = 10.0**( FCLOG/(1.0+X*X) ) PCOR = PR*F/(1.0+PR) RF(71) = RFH71*PCOR RB(71) = EXP(+(-2.52082D+07)/T/T/T+( 3.21012D+05)/T/T & +(-1.98449D+04)/T+( 2.98925D+01)+(-1.35317D-04)*T & +(-4.03962D-08)*T*T+( 9.26855D-12)*T*T*T) RB(71) = RB(71)*PCOR RF(73) = 3.000D+13 RB(73) = EXP(+( 2.24578D+07)/T/T/T+(-2.86454D+05)/T/T & +(-3.36014D+04)/T+( 3.11510D+01)+( 7.27005D-04)*T & +(-1.45027D-07)*T*T+( 1.09712D-11)*T*T*T) RFH74 = 1.080D+12 * EXP( 0.454*ALOGT - 1.82000*RTR ) RFL74 = 1.200D+42 * EXP( -7.620*ALOGT - 6.97000*RTR ) PR = RFL74*XM(74)/RFH74 PRLOG = DLOG10(PR) F4 = 0.9753 F5 = 210.00 F6 = 984.00 F7 = 4374.00 FC = (1.0-F4)*EXP(-T/F5)+F4*EXP(-T/F6)+EXP(-F7/T) FCLOG = DLOG10(FC) CPRLOG = PRLOG - (0.4 + 0.67*FCLOG) X = CPRLOG/(0.75-1.27*FCLOG-0.14*CPRLOG) F = 10.0**( FCLOG/(1.0+X*X) ) PCOR = PR*F/(1.0+PR) RF(74) = RFH74*PCOR RB(74) = EXP(+(-1.67300D+07)/T/T/T+( 1.91195D+05)/T/T & +(-1.97183D+04)/T+( 3.08448D+01)+( 3.50640D-04)*T & +(-1.54781D-07)*T*T+( 2.06667D-11)*T*T*T) RB(74) = RB(74)*PCOR RF(75) = 1.325D+06 * EXP( 2.530*ALOGT - 12.24000*RTR ) RB(75) = EXP(+(-1.10989D+06)/T/T/T+( 9.16469D+03)/T/T & +(-3.20326D+03)/T+( 2.58675D+01)+( 2.80322D-03)*T & +(-5.11949D-07)*T*T+( 4.69485D-11)*T*T*T) RF(78) = 1.150D+08 * EXP( 1.900*ALOGT - 7.53000*RTR ) RB(78) = EXP(+( 2.78736D+06)/T/T/T+(-2.97552D+04)/T/T & +(-5.92988D+03)/T+( 2.58204D+01)+( 2.31452D-03)*T & +(-4.13559D-07)*T*T+( 3.66852D-11)*T*T*T) RF(79) = 1.000D+14 RB(79) = EXP(+(-2.25001D+07)/T/T/T+( 1.96976D+05)/T/T & +(-9.59617D+03)/T+( 2.88550D+01)+( 1.67052D-03)*T & +(-4.39047D-07)*T*T+( 5.15413D-11)*T*T*T) RF(80) = 5.000D+13 * EXP( - 8.00000*RTR ) RB(80) = EXP(+( 1.28178D+07)/T/T/T+(-1.64508D+05)/T/T & +(-2.43893D+03)/T+( 2.77576D+01)+( 6.98575D-04)*T & +(-8.51090D-08)*T*T+( 2.66409D-12)*T*T*T) RF(81) = 1.130D+13 * EXP( - 3.42800*RTR ) RB(81) = EXP(+(-1.59395D+07)/T/T/T+( 1.28264D+05)/T/T & +(-1.80334D+04)/T+( 2.51875D+01)+( 1.74353D-03)*T & +(-4.35699D-07)*T*T+( 4.87500D-11)*T*T*T) RF(82) = 1.000D+13 RB(82) = EXP(+(-1.11016D+07)/T/T/T+( 1.42257D+05)/T/T & +(-1.57232D+04)/T+( 2.98741D+01)+( 6.61450D-05)*T & +( 5.98073D-09)*T*T+(-6.75568D-13)*T*T*T) RFH83 = 4.300D+07 * EXP( 1.500*ALOGT - 79.60000*RTR ) RFL83 = 5.070D+27 * EXP( -3.420*ALOGT - 84.35000*RTR ) PR = RFL83*XM(83)/RFH83 PRLOG = DLOG10(PR) F4 = 0.9320 F5 = 197.00 F6 = 1540.00 F7 = 10300.00 FC = (1.0-F4)*EXP(-T/F5)+F4*EXP(-T/F6)+EXP(-F7/T) FCLOG = DLOG10(FC) CPRLOG = PRLOG - (0.4 + 0.67*FCLOG) X = CPRLOG/(0.75-1.27*FCLOG-0.14*CPRLOG) F = 10.0**( FCLOG/(1.0+X*X) ) PCOR = PR*F/(1.0+PR) RF(83) = RFH83*PCOR RB(83) = EXP(+(-4.38917D+07)/T/T/T+( 5.56044D+05)/T/T & +(-4.22194D+04)/T+( 3.25901D+01)+( 2.05416D-04)*T & +(-1.40555D-07)*T*T+( 2.26081D-11)*T*T*T) RB(83) = RB(83)*PCOR RF(84) = 2.160D+08 * EXP( 1.510*ALOGT - 3.43000*RTR ) RB(84) = EXP(+(-2.18402D+07)/T/T/T+( 2.73249D+05)/T/T & +(-1.07968D+04)/T+( 3.15026D+01)+( 1.03645D-03)*T & +(-2.38657D-07)*T*T+( 2.64699D-11)*T*T*T) RFH85 = 7.400D+13 * EXP( -0.370*ALOGT ) RFL85 = 2.300D+18 * EXP( -0.900*ALOGT + 1.70000*RTR ) PR = RFL85*XM(85)/RFH85 PRLOG = DLOG10(PR) F4 = 0.7346 F5 = 94.00 F6 = 1756.00 F7 = 5182.00 FC = (1.0-F4)*EXP(-T/F5)+F4*EXP(-T/F6)+EXP(-F7/T) FCLOG = DLOG10(FC) CPRLOG = PRLOG - (0.4 + 0.67*FCLOG) X = CPRLOG/(0.75-1.27*FCLOG-0.14*CPRLOG) F = 10.0**( FCLOG/(1.0+X*X) ) PCOR = PR*F/(1.0+PR) RF(85) = RFH85*PCOR RB(85) = EXP(+(-1.06770D+07)/T/T/T+( 1.78051D+05)/T/T & +(-2.63633D+04)/T+( 3.64487D+01)+(-1.67315D-03)*T & +( 3.22699D-07)*T*T+(-3.14707D-11)*T*T*T) RB(85) = RB(85)*PCOR RF(86) = 3.570D+04 * EXP( 2.400*ALOGT + 2.11000*RTR ) RB(86) = EXP(+(-2.73763D+07)/T/T/T+( 3.45792D+05)/T/T & +(-9.50175D+03)/T+( 2.95716D+01)+( 1.76158D-03)*T & +(-3.65390D-07)*T*T+( 3.74354D-11)*T*T*T) RF(87) = 2.900D+13 * EXP( + 0.50000*RTR ) RB(87) = EXP(+(-7.98495D+06)/T/T/T+( 7.36775D+04)/T/T & +(-3.52878D+04)/T+( 3.33863D+01)+( 2.43223D-04)*T & +(-7.36830D-08)*T*T+( 9.12658D-12)*T*T*T) RF(88) = 1.750D+12 * EXP( - 0.32000*RTR ) RB(88) = EXP(+(-5.94416D+06)/T/T/T+( 6.32430D+04)/T/T & +(-1.63103D+04)/T+( 2.82097D+01)+( 5.48486D-04)*T & +(-1.37318D-07)*T*T+( 1.26190D-11)*T*T*T) RF(89) = 5.800D+14 * EXP( - 9.56000*RTR ) RB(89) = EXP(+(-5.94416D+06)/T/T/T+( 6.32430D+04)/T/T & +(-2.09600D+04)/T+( 3.40131D+01)+( 5.48486D-04)*T & +(-1.37318D-07)*T*T+( 1.26190D-11)*T*T*T) RF(90) = 5.000D+13 RB(90) = EXP(+(-7.90154D+06)/T/T/T+( 8.65219D+04)/T/T & +(-7.83597D+04)/T+( 3.57483D+01)+(-5.09576D-04)*T & +( 1.23328D-07)*T*T+(-1.16033D-11)*T*T*T) RF(92) = 2.000D+13 RB(92) = EXP(+(-2.77320D+07)/T/T/T+( 3.41193D+05)/T/T & +(-4.02322D+04)/T+( 3.85562D+01)+(-1.45882D-03)*T & +( 3.12764D-07)*T*T+(-3.02872D-11)*T*T*T) RF(93) = 1.130D+07 * EXP( 2.000*ALOGT - 3.00000*RTR ) RB(93) = EXP(+(-2.02166D+07)/T/T/T+( 2.43039D+05)/T/T & +(-1.20690D+04)/T+( 3.05545D+01)+( 1.99349D-03)*T & +(-4.47011D-07)*T*T+( 4.47198D-11)*T*T*T) RFH95 = 6.300D+13 RFL95 = 2.700D+38 * EXP( -6.300*ALOGT - 3.10000*RTR ) PR = RFL95*XM(95)/RFH95 PRLOG = DLOG10(PR) F4 = 0.2105 F5 = 83.50 F6 = 5398.00 F7 = 8370.00 FC = (1.0-F4)*EXP(-T/F5)+F4*EXP(-T/F6)+EXP(-F7/T) FCLOG = DLOG10(FC) CPRLOG = PRLOG - (0.4 + 0.67*FCLOG) X = CPRLOG/(0.75-1.27*FCLOG-0.14*CPRLOG) F = 10.0**( FCLOG/(1.0+X*X) ) PCOR = PR*F/(1.0+PR) RF(95) = RFH95*PCOR RB(95) = EXP(+(-3.13232D+07)/T/T/T+( 4.22145D+05)/T/T & +(-4.81613D+04)/T+( 4.04402D+01)+(-1.42122D-03)*T & +( 2.41294D-07)*T*T+(-2.05585D-11)*T*T*T) RB(95) = RB(95)*PCOR RF(96) = 5.600D+07 * EXP( 1.600*ALOGT - 5.42000*RTR ) RB(96) = EXP(+(-7.90555D+06)/T/T/T+( 1.03077D+05)/T/T & +(-7.78939D+03)/T+( 2.74931D+01)+( 1.78531D-03)*T & +(-3.45581D-07)*T*T+( 3.29056D-11)*T*T*T) RF(97) = 2.501D+13 RB(97) = EXP(+(-3.75524D+06)/T/T/T+( 2.77102D+04)/T/T & +( 1.92658D+02)/T+( 3.06053D+01)+( 4.49484D-04)*T & +(-8.92907D-08)*T*T+( 8.00698D-12)*T*T*T) RF(98) = 1.000D+08 * EXP( 1.600*ALOGT - 3.12000*RTR ) RB(98) = EXP(+( 1.02131D+07)/T/T/T+(-1.01577D+05)/T/T & +(-8.73980D+03)/T+( 2.62281D+01)+( 1.79430D-03)*T & +(-2.74764D-07)*T*T+( 2.35065D-11)*T*T*T) RF(99) = 4.760D+07 * EXP( 1.228*ALOGT - 0.07000*RTR ) RB(99) = EXP(+(-7.75714D+06)/T/T/T+( 1.52467D+05)/T/T & +(-1.37529D+04)/T+( 3.37009D+01)+(-5.97901D-04)*T & +( 1.75167D-07)*T*T+(-1.94782D-11)*T*T*T) RF(100) = 5.000D+13 RB(100) = EXP(+( 5.69407D+05)/T/T/T+(-1.37231D+04)/T/T & +(-5.20361D+04)/T+( 3.36498D+01)+( 7.25298D-04)*T & +(-1.92988D-07)*T*T+( 2.01745D-11)*T*T*T) RF(101) = 3.430D+09 * EXP( 1.180*ALOGT + 0.44700*RTR ) RB(101) = EXP(+(-4.45301D+05)/T/T/T+( 5.01807D+03)/T/T & +(-1.57386D+04)/T+( 2.78069D+01)+( 1.46086D-03)*T & +(-2.75646D-07)*T*T+( 2.50114D-11)*T*T*T) RF(104) = 1.440D+06 * EXP( 2.000*ALOGT + 0.84000*RTR ) RB(104) = EXP(+( 3.57178D+06)/T/T/T+(-4.14713D+04)/T/T & +(-1.12645D+04)/T+( 2.51505D+01)+( 2.06739D-03)*T & +(-3.85744D-07)*T*T+( 3.55621D-11)*T*T*T) RF(105) = 6.300D+06 * EXP( 2.000*ALOGT - 1.50000*RTR ) RB(105) = EXP(+(-2.36319D+07)/T/T/T+( 2.77406D+05)/T/T & +(-9.99464D+03)/T+( 3.03418D+01)+( 1.52103D-03)*T & +(-2.52894D-07)*T*T+( 1.89875D-11)*T*T*T) RF(106) = 2.000D+13 RB(106) = EXP(+( 1.89217D+06)/T/T/T+( 3.94622D+04)/T/T & +(-2.57072D+04)/T+( 3.62692D+01)+(-1.53477D-03)*T & +( 4.76958D-07)*T*T+(-5.79517D-11)*T*T*T) RF(107) = 2.180D-04 * EXP( 4.500*ALOGT + 1.00000*RTR ) RB(107) = EXP(+(-4.56540D+07)/T/T/T+( 5.81427D+05)/T/T & +(-1.47216D+04)/T+( 2.69374D+01)+( 2.32553D-03)*T & +(-3.84252D-07)*T*T+( 3.77156D-11)*T*T*T) RF(108) = 5.040D+05 * EXP( 2.300*ALOGT - 13.50000*RTR ) RB(108) = EXP(+(-1.73200D+07)/T/T/T+( 2.21003D+05)/T/T & +(-4.88993D+03)/T+( 3.36121D+01)+( 4.92784D-04)*T & +(-4.37346D-08)*T*T+( 3.54330D-12)*T*T*T) RF(109) = 3.370D+07 * EXP( 2.000*ALOGT - 14.00000*RTR ) RB(109) = EXP(+(-2.51587D+07)/T/T/T+( 2.53046D+05)/T/T & +(-1.48552D+03)/T+( 2.83426D+01)+( 2.37529D-03)*T & +(-5.53404D-07)*T*T+( 6.12832D-11)*T*T*T) RF(111) = 5.000D+12 RB(111) = EXP(+( 1.24452D+07)/T/T/T+(-1.62947D+05)/T/T & +(-4.17078D+04)/T+( 3.14126D+01)+( 5.50930D-04)*T & +(-1.45861D-07)*T*T+( 1.35228D-11)*T*T*T) RF(112) = 3.600D+06 * EXP( 2.000*ALOGT - 2.50000*RTR ) RB(112) = EXP(+(-6.97098D+06)/T/T/T+( 8.01127D+04)/T/T & +(-6.06982D+03)/T+( 2.53197D+01)+( 2.20156D-03)*T & +(-4.29308D-07)*T*T+( 4.11049D-11)*T*T*T) RF(113) = 3.540D+06 * EXP( 2.120*ALOGT - 0.87000*RTR ) RB(113) = EXP(+(-8.94839D+06)/T/T/T+( 1.15568D+05)/T/T & +(-1.08253D+04)/T+( 2.58875D+01)+( 2.31510D-03)*T & +(-4.49042D-07)*T*T+( 4.27216D-11)*T*T*T) RF(114) = 7.500D+12 * EXP( - 2.00000*RTR ) RB(114) = EXP(+( 2.80532D+06)/T/T/T+(-4.10017D+04)/T/T & +(-7.52602D+03)/T+( 2.79138D+01)+( 5.22500D-04)*T & +(-8.59425D-08)*T*T+( 5.21569D-12)*T*T*T) RF(122) = 5.800D+13 * EXP( - 0.57600*RTR ) RB(122) = EXP(+(-1.73760D+06)/T/T/T+( 7.14167D+02)/T/T & +(-6.97369D+04)/T+( 3.19571D+01)+( 3.24747D-04)*T & +(-1.03744D-07)*T*T+( 1.44719D-11)*T*T*T) RF(125) = 3.300D+13 RB(125) = EXP(+(-8.21982D+06)/T/T/T+( 9.86815D+04)/T/T & +(-3.72474D+04)/T+( 3.22251D+01)+(-4.98666D-04)*T & +( 1.27909D-07)*T*T+(-1.09317D-11)*T*T*T) RF(126) = 1.107D+08 * EXP( 1.790*ALOGT - 1.67000*RTR ) RB(126) = EXP(+(-1.94826D+07)/T/T/T+( 2.56311D+05)/T/T & +(-8.07975D+02)/T+( 3.20096D+01)+( 8.73802D-04)*T & +(-1.50745D-07)*T*T+( 1.78651D-11)*T*T*T) RF(127) = 1.713D+13 * EXP( + 0.75500*RTR ) RB(127) = EXP(+(-2.31813D+07)/T/T/T+( 2.96488D+05)/T/T & +(-3.05702D+04)/T+( 3.76745D+01)+(-1.84631D-03)*T & +( 4.44776D-07)*T*T+(-4.33272D-11)*T*T*T) RF(130) = 6.000D+13 RB(130) = EXP(+( 1.41369D+07)/T/T/T+(-7.17483D+04)/T/T & +(-3.04427D+04)/T+( 3.70705D+01)+(-1.70024D-03)*T & +( 5.10600D-07)*T*T+(-5.68035D-11)*T*T*T) RF(132) = 3.400D+12 * EXP( - 0.69000*RTR ) RB(132) = EXP(+(-1.62454D+07)/T/T/T+( 1.53799D+05)/T/T & +(-3.35739D+04)/T+( 2.62121D+01)+( 2.50995D-04)*T & +(-1.35963D-08)*T*T+( 1.92271D-12)*T*T*T) RF(133) = 9.460D+13 * EXP( + 0.51500*RTR ) RB(133) = EXP(+( 2.52301D+07)/T/T/T+(-2.43100D+05)/T/T & +(-3.73564D+04)/T+( 3.74812D+01)+(-1.39291D-03)*T & +( 3.78509D-07)*T*T+(-4.28569D-11)*T*T*T) RF(135) = 1.320D+13 * EXP( - 1.50000*RTR ) RB(135) = EXP(+(-4.19319D+06)/T/T/T+( 3.55954D+04)/T/T & +(-3.82535D+04)/T+( 2.92518D+01)+( 5.44439D-05)*T & +(-1.67115D-08)*T*T+( 2.68878D-12)*T*T*T) RF(137) = 3.200D+13 RB(137) = EXP(+( 1.33659D+07)/T/T/T+(-1.15884D+05)/T/T & +(-6.66726D+04)/T+( 3.82034D+01)+(-1.00020D-03)*T & +( 2.35600D-07)*T*T+(-2.90916D-11)*T*T*T) RF(138) = 4.000D+13 RB(138) = EXP(+(-1.31596D+07)/T/T/T+( 2.33201D+05)/T/T & +(-3.35769D+04)/T+( 4.04543D+01)+(-1.82225D-03)*T & +( 4.01354D-07)*T*T+(-4.19261D-11)*T*T*T) RFH140 = 8.100D+11 * EXP( 0.500*ALOGT - 4.51000*RTR ) RFL140 = 2.690D+33 * EXP( -5.110*ALOGT - 7.09500*RTR ) PR = RFL140*XM(140)/RFH140 PRLOG = DLOG10(PR) F4 = 0.5907 F5 = 275.00 F6 = 1226.00 F7 = 5185.00 FC = (1.0-F4)*EXP(-T/F5)+F4*EXP(-T/F6)+EXP(-F7/T) FCLOG = DLOG10(FC) CPRLOG = PRLOG - (0.4 + 0.67*FCLOG) X = CPRLOG/(0.75-1.27*FCLOG-0.14*CPRLOG) F = 10.0**( FCLOG/(1.0+X*X) ) PCOR = PR*F/(1.0+PR) RF(140) = RFH140*PCOR RB(140) = EXP(+(-5.36694D+06)/T/T/T+( 1.34975D+05)/T/T & +(-4.25853D+04)/T+( 3.96140D+01)+(-1.42693D-03)*T & +( 2.64275D-07)*T*T+(-2.56005D-11)*T*T*T) RB(140) = RB(140)*PCOR RF(142) = 1.500D+13 * EXP( - 0.60000*RTR ) RB(142) = EXP(+( 8.38231D+06)/T/T/T+(-8.33007D+04)/T/T & +(-4.53466D+03)/T+( 2.93664D+01)+( 5.10252D-05)*T & +(-4.29182D-09)*T*T+(-4.45233D-13)*T*T*T) RF(144) = 2.800D+13 RB(144) = EXP(+( 1.75215D+07)/T/T/T+(-2.19493D+05)/T/T & +(-3.34226D+04)/T+( 2.84270D+01)+( 4.15154D-04)*T & +(-2.77347D-08)*T*T+(-3.73257D-13)*T*T*T) RF(145) = 1.200D+13 RB(145) = EXP(+( 4.75853D+06)/T/T/T+(-6.14284D+04)/T/T & +(-9.37675D+04)/T+( 3.02906D+01)+( 8.30767D-04)*T & +(-2.13992D-07)*T*T+( 2.24181D-11)*T*T*T) RF(146) = 7.000D+13 RB(146) = EXP(+(-6.25728D+06)/T/T/T+( 9.57963D+04)/T/T & +(-8.29904D+03)/T+( 3.41778D+01)+(-6.25560D-04)*T & +( 8.84572D-08)*T*T+(-5.45537D-12)*T*T*T) RFH147 = 2.000D+13 RFL147 = 2.700D+38 * EXP( -6.300*ALOGT - 3.10000*RTR ) PR = RFL147*XM(147)/RFH147 PRLOG = DLOG10(PR) F4 = 0.1507 F5 = 134.00 F6 = 2383.00 F7 = 7265.00 FC = (1.0-F4)*EXP(-T/F5)+F4*EXP(-T/F6)+EXP(-F7/T) FCLOG = DLOG10(FC) CPRLOG = PRLOG - (0.4 + 0.67*FCLOG) X = CPRLOG/(0.75-1.27*FCLOG-0.14*CPRLOG) F = 10.0**( FCLOG/(1.0+X*X) ) PCOR = PR*F/(1.0+PR) RF(147) = RFH147*PCOR RB(147) = EXP(+(-2.75679D+07)/T/T/T+( 3.94434D+05)/T/T & +(-4.83540D+04)/T+( 3.95377D+01)+(-1.87070D-03)*T & +( 3.30585D-07)*T*T+(-2.85654D-11)*T*T*T) RB(147) = RB(147)*PCOR RF(148) = 3.000D+13 RB(148) = EXP(+( 8.38231D+06)/T/T/T+(-8.33007D+04)/T/T & +(-4.23273D+03)/T+( 3.00595D+01)+( 5.10252D-05)*T & +(-4.29183D-09)*T*T+(-4.45232D-13)*T*T*T) RF(153) = 1.400D+13 RB(153) = EXP(+(-2.12114D+07)/T/T/T+( 2.27202D+05)/T/T & +(-3.15315D+04)/T+( 2.95469D+01)+( 1.76189D-04)*T & +(-6.01038D-08)*T*T+( 8.19717D-12)*T*T*T) RF(155) = 2.675D+13 * EXP( - 28.80000*RTR ) RB(155) = EXP(+(-2.03624D+07)/T/T/T+( 2.57344D+05)/T/T & +(-1.35883D+03)/T+( 3.40314D+01)+(-1.08747D-03)*T & +( 2.62585D-07)*T*T+(-2.99669D-11)*T*T*T) RFH158 = 2.120D+16 * EXP( -0.970*ALOGT - 0.62000*RTR ) RFL158 = 1.770D+50 * EXP( -9.670*ALOGT - 6.22000*RTR ) PR = RFL158*XM(158)/RFH158 PRLOG = DLOG10(PR) F4 = 0.5325 F5 = 151.00 F6 = 1038.00 F7 = 4970.00 FC = (1.0-F4)*EXP(-T/F5)+F4*EXP(-T/F6)+EXP(-F7/T) FCLOG = DLOG10(FC) CPRLOG = PRLOG - (0.4 + 0.67*FCLOG) X = CPRLOG/(0.75-1.27*FCLOG-0.14*CPRLOG) F = 10.0**( FCLOG/(1.0+X*X) ) PCOR = PR*F/(1.0+PR) RF(158) = RFH158*PCOR RB(158) = EXP(+(-2.17658D+07)/T/T/T+( 3.22258D+05)/T/T & +(-4.67883D+04)/T+( 4.25668D+01)+(-2.72732D-03)*T & +( 4.92413D-07)*T*T+(-4.53947D-11)*T*T*T) RB(158) = RB(158)*PCOR RF(159) = 4.990D+12 * EXP( 0.100*ALOGT - 10.60000*RTR ) RB(159) = EXP(+(-9.72674D+06)/T/T/T+( 1.75635D+05)/T/T & +(-1.18240D+03)/T+( 3.51761D+01)+(-1.67098D-03)*T & +( 3.95001D-07)*T*T+(-4.20964D-11)*T*T*T) RF(160) = 2.648D+13 RB(160) = EXP(+(-2.21763D+07)/T/T/T+( 2.46521D+05)/T/T & +(-4.58882D+04)/T+( 3.60767D+01)+( 2.15798D-04)*T & +(-1.70223D-07)*T*T+( 2.20119D-11)*T*T*T) RF(161) = 3.320D+03 * EXP( 2.810*ALOGT - 5.86000*RTR ) RB(161) = EXP(+(-3.59586D+07)/T/T/T+( 4.26904D+05)/T/T & +(-1.38056D+04)/T+( 2.80950D+01)+( 2.26025D-03)*T & +(-5.09604D-07)*T*T+( 5.26679D-11)*T*T*T) RF(166) = 2.244D+18 * EXP( -1.000*ALOGT - 17.00000*RTR ) RB(166) = EXP(+( 2.11652D+07)/T/T/T+(-2.70955D+05)/T/T & +( 3.92816D+02)/T+( 3.48570D+01)+(-4.93315D-04)*T & +( 1.50768D-07)*T*T+(-1.84567D-11)*T*T*T) RF(167) = 1.870D+17 * EXP( -1.000*ALOGT - 17.00000*RTR ) RB(167) = EXP(+( 2.11652D+07)/T/T/T+(-2.70955D+05)/T/T & +( 3.92816D+02)/T+( 3.23721D+01)+(-4.93315D-04)*T & +( 1.50768D-07)*T*T+(-1.84567D-11)*T*T*T) RF(168) = 7.600D+12 * EXP( - 0.40000*RTR ) RB(168) = EXP(+( 8.55436D+06)/T/T/T+(-8.74006D+04)/T/T & +(-1.66980D+04)/T+( 2.93780D+01)+( 4.82074D-04)*T & +(-1.19305D-07)*T*T+( 1.10480D-11)*T*T*T) RF(169) = 1.800D+13 * EXP( - 0.90000*RTR ) RB(169) = EXP(+(-1.57974D+07)/T/T/T+( 1.87651D+05)/T/T & +(-1.09595D+04)/T+( 3.15071D+01)+( 1.73904D-04)*T & +(-6.39407D-08)*T*T+( 7.61556D-12)*T*T*T) RF(170) = 4.280D-13 * EXP( 7.600*ALOGT + 3.53000*RTR ) RB(170) = EXP(+(-4.81236D+07)/T/T/T+( 6.22442D+05)/T/T & +(-1.60316D+04)/T+( 2.04228D+01)+( 6.82306D-03)*T & +(-1.39379D-06)*T*T+( 1.44574D-10)*T*T*T) RF(171) = 5.000D+13 * EXP( - 1.50000*RTR ) RB(171) = EXP(+(-1.64188D+07)/T/T/T+( 1.88732D+05)/T/T & +(-7.77896D+04)/T+( 3.18721D+01)+( 2.41220D-04)*T & +( 1.69071D-08)*T*T+(-4.16689D-12)*T*T*T) RF(173) = 3.980D+12 * EXP( + 0.24000*RTR ) RB(173) = EXP(+(-2.28333D+07)/T/T/T+( 2.06219D+05)/T/T & +(-4.45389D+04)/T+( 2.89944D+01)+( 3.22826D-04)*T & +(-8.45743D-08)*T*T+( 1.24644D-11)*T*T*T) RF(176) = 1.600D+12 * EXP( - 0.85400*RTR ) RB(176) = EXP(+(-4.97861D+06)/T/T/T+(-2.25177D+04)/T/T & +(-4.34485D+04)/T+( 2.21836D+01)+( 2.08567D-03)*T & +(-4.66782D-07)*T*T+( 5.11680D-11)*T*T*T) RF(178) = 3.500D+13 * EXP( - 0.33000*RTR ) RB(178) = EXP(+( 3.97977D+05)/T/T/T+(-1.42620D+04)/T/T & +(-3.79249D+04)/T+( 3.23101D+01)+( 2.55881D-04)*T & +(-7.71311D-08)*T*T+( 9.53934D-12)*T*T*T) RF(179) = 2.650D+12 * EXP( - 6.40000*RTR ) RB(179) = EXP(+(-1.63369D+06)/T/T/T+( 1.30574D+03)/T/T & +(-1.90701D+04)/T+( 2.68215D+01)+( 1.44637D-04)*T & +(-4.26817D-08)*T*T+( 5.92650D-12)*T*T*T) RF(180) = 7.333D+13 * EXP( - 1.12000*RTR ) RB(180) = EXP(+(-7.79764D+06)/T/T/T+( 8.71135D+04)/T/T & +(-2.53257D+04)/T+( 3.40816D+01)+(-6.89686D-04)*T & +( 1.84390D-07)*T*T+(-2.01487D-11)*T*T*T) RF(181) = 1.400D+12 * EXP( - 10.81000*RTR ) RB(181) = EXP(+(-8.69622D+06)/T/T/T+( 6.43383D+04)/T/T & +(-4.52908D+04)/T+( 2.56512D+01)+( 9.81265D-04)*T & +(-2.14167D-07)*T*T+( 2.27213D-11)*T*T*T) RF(182) = 2.900D+13 * EXP( - 23.15000*RTR ) RB(182) = EXP(+(-1.07279D+07)/T/T/T+( 7.99061D+04)/T/T & +(-2.95912D+04)/T+( 2.57743D+01)+( 8.70021D-04)*T & +(-1.79718D-07)*T*T+( 1.91085D-11)*T*T*T) RF(183) = 4.400D+14 * EXP( - 18.88000*RTR ) RB(183) = EXP(+(-2.53227D+06)/T/T/T+(-2.14694D+04)/T/T & +(-4.04391D+04)/T+( 2.74619D+01)+( 1.81559D-03)*T & +(-4.41239D-07)*T*T+( 4.87966D-11)*T*T*T) RFH185 = 1.300D+11 * EXP( - 59.62000*RTR ) RFL185 = 6.200D+14 * EXP( - 56.10000*RTR ) PR = RFL185*XM(185)/RFH185 PCOR = PR/(1.0+PR) RF(185) = RFH185*PCOR RB(185) = EXP(+( 1.65327D+06)/T/T/T+(-7.17434D+04)/T/T & +(-9.62595D+03)/T+( 1.94078D+01)+( 1.23436D-03)*T & +(-2.42374D-07)*T*T+( 2.54247D-11)*T*T*T) RB(185) = RB(185)*PCOR RF(186) = 2.110D+12 * EXP( + 0.48000*RTR ) RB(186) = EXP(+( 5.75654D+06)/T/T/T+(-6.01200D+04)/T/T & +(-3.20822D+03)/T+( 3.01833D+01)+(-2.64088D-04)*T & +( 7.82229D-08)*T*T+(-8.97129D-12)*T*T*T) RF(187) = 1.060D+20 * EXP( -1.410*ALOGT ) RB(187) = EXP(+( 5.85897D+06)/T/T/T+(-2.97504D+04)/T/T & +(-3.62674D+04)/T+( 4.25990D+01)+(-2.05825D-03)*T & +( 4.14795D-07)*T*T+(-4.37161D-11)*T*T*T) RF(188) = 3.900D+12 * EXP( + 0.24000*RTR ) RB(188) = EXP(+(-5.16409D+06)/T/T/T+( 2.60066D+04)/T/T & +(-2.29381D+04)/T+( 2.67906D+01)+( 6.72930D-04)*T & +(-1.64514D-07)*T*T+( 1.86784D-11)*T*T*T) RF(189) = 1.320D+14 * EXP( - 0.36000*RTR ) RB(189) = EXP(+( 9.99851D+05)/T/T/T+(-5.98011D+04)/T/T & +(-1.43274D+04)/T+( 2.63728D+01)+( 1.50725D-03)*T & +(-3.91585D-07)*T*T+( 4.47536D-11)*T*T*T) RF(190) = 5.000D+13 RB(190) = EXP(+(-5.46586D+06)/T/T/T+( 6.69650D+04)/T/T & +(-3.60094D+04)/T+( 3.42172D+01)+(-5.87394D-04)*T & +( 1.64822D-07)*T*T+(-1.83099D-11)*T*T*T) RF(191) = 3.200D+13 * EXP( - 0.33000*RTR ) RB(191) = EXP(+( 3.76689D+06)/T/T/T+(-3.58641D+04)/T/T & +(-1.23377D+04)/T+( 3.23457D+01)+( 1.12749D-04)*T & +(-6.12622D-09)*T*T+(-1.29322D-12)*T*T*T) RF(192) = 2.000D+13 RB(192) = EXP(+(-1.18344D+07)/T/T/T+( 1.59635D+05)/T/T & +(-9.40222D+03)/T+( 3.55399D+01)+(-8.71194D-04)*T & +( 1.44534D-07)*T*T+(-1.42753D-11)*T*T*T) RF(193) = 2.000D+09 * EXP( 1.200*ALOGT ) RB(193) = EXP(+(-1.56451D+07)/T/T/T+( 2.06643D+05)/T/T & +(-2.10444D+04)/T+( 3.28711D+01)+( 9.00272D-04)*T & +(-1.95959D-07)*T*T+( 2.02663D-11)*T*T*T) RF(194) = 4.610D+05 * EXP( 2.000*ALOGT - 6.50000*RTR ) RB(194) = EXP(+(-2.13362D+07)/T/T/T+( 2.72161D+05)/T/T & +(-5.03784D+03)/T+( 2.76020D+01)+( 1.56913D-03)*T & +(-3.97536D-07)*T*T+( 4.34798D-11)*T*T*T) RF(197) = 2.000D+13 * EXP( - 13.85000*RTR ) RB(197) = EXP(+(-1.82189D+06)/T/T/T+( 3.61284D+04)/T/T & +(-8.26539D+03)/T+( 3.34866D+01)+(-6.95119D-04)*T & +( 1.45368D-07)*T*T+(-1.68269D-11)*T*T*T) RF(199) = 4.160D+14 * EXP( -0.450*ALOGT ) RB(199) = EXP(+( 8.78682D+06)/T/T/T+(-5.75663D+04)/T/T & +(-1.77803D+04)/T+( 3.85027D+01)+(-1.81876D-03)*T & +( 4.15415D-07)*T*T+(-4.45463D-11)*T*T*T) RF(200) = 7.000D+12 RB(200) = EXP(+( 1.06750D+07)/T/T/T+(-1.27101D+05)/T/T & +(-4.87880D+03)/T+( 2.76427D+01)+( 4.13112D-04)*T & +(-7.03160D-08)*T*T+( 6.37542D-12)*T*T*T) RF(201) = 4.600D+13 RB(201) = EXP(+(-1.15945D+06)/T/T/T+( 3.25343D+04)/T/T & +(-1.42810D+04)/T+( 3.44386D+01)+(-4.58082D-04)*T & +( 7.42184D-08)*T*T+(-7.89992D-12)*T*T*T) RF(202) = 4.000D+13 * EXP( - 3.65000*RTR ) RB(202) = EXP(+( 1.21101D+07)/T/T/T+(-1.42816D+05)/T/T & +(-7.63986D+03)/T+( 3.01161D+01)+( 4.23569D-04)*T & +(-5.68746D-08)*T*T+( 3.24333D-12)*T*T*T) RF(203) = 9.000D+07 * EXP( 1.500*ALOGT + 0.46000*RTR ) RB(203) = EXP(+(-9.65178D+06)/T/T/T+( 1.29441D+05)/T/T & +(-1.46360D+04)/T+( 2.93554D+01)+( 1.45199D-03)*T & +(-2.93957D-07)*T*T+( 2.95548D-11)*T*T*T) RF(204) = 3.300D+08 RB(204) = EXP(+( 8.71180D+06)/T/T/T+(-1.35372D+05)/T/T & +(-3.44330D+03)/T+( 1.98045D+01)+( 4.00280D-04)*T & +(-5.03555D-08)*T*T+( 4.26252D-12)*T*T*T) RF(205) = 1.300D+14 * EXP( -0.110*ALOGT - 4.98000*RTR ) RB(205) = EXP(+( 9.57341D+06)/T/T/T+(-1.46281D+05)/T/T & +(-5.87907D+03)/T+( 3.19411D+01)+( 3.11951D-04)*T & +(-3.30306D-08)*T*T+( 2.52013D-12)*T*T*T) RF(206) = 5.000D+12 RB(206) = EXP(+( 3.93380D+06)/T/T/T+(-5.09850D+04)/T/T & +(-2.82489D+04)/T+( 2.97532D+01)+( 5.72670D-04)*T & +(-1.62929D-07)*T*T+( 1.79273D-11)*T*T*T) RF(207) = 2.500D+13 RB(207) = EXP(+( 4.52625D+06)/T/T/T+(-8.50984D+04)/T/T & +(-5.47575D+04)/T+( 3.09668D+01)+( 9.81512D-04)*T & +(-2.49220D-07)*T*T+( 2.76343D-11)*T*T*T) RF(208) = 7.000D+13 RB(208) = EXP(+( 1.79650D+06)/T/T/T+(-5.06879D+04)/T/T & +(-5.75143D+03)/T+( 3.03542D+01)+( 6.23339D-04)*T & +(-1.52522D-07)*T*T+( 1.62561D-11)*T*T*T) RF(209) = 5.000D+13 RB(209) = EXP(+( 5.96136D+06)/T/T/T+(-1.00814D+05)/T/T & +(-5.56818D+04)/T+( 3.23904D+01)+( 9.91969D-04)*T & +(-2.35779D-07)*T*T+( 2.45022D-11)*T*T*T) RF(210) = 2.000D+13 RB(210) = EXP(+(-4.05116D+06)/T/T/T+( 2.26925D+04)/T/T & +(-6.37882D+04)/T+( 3.35275D+01)+( 8.15893D-04)*T & +(-2.36612D-07)*T*T+( 2.70539D-11)*T*T*T) RF(212) = 8.950D+19 * EXP( -1.320*ALOGT - 0.74000*RTR ) RB(212) = EXP(+(-2.14683D+05)/T/T/T+( 1.20434D+04)/T/T & +(-2.42363D+04)/T+( 3.91392D+01)+(-7.62528D-04)*T & +(-1.12534D-08)*T*T+( 6.49763D-12)*T*T*T) RF(213) = 2.500D+13 RB(213) = EXP(+( 6.36855D+06)/T/T/T+(-9.26699D+04)/T/T & +(-2.66072D+04)/T+( 2.86109D+01)+( 2.83800D-04)*T & +( 2.02877D-08)*T*T+(-4.03453D-12)*T*T*T) RF(214) = 4.500D+11 * EXP( 0.720*ALOGT - 0.66000*RTR ) RB(214) = EXP(+( 2.16398D+06)/T/T/T+(-3.69853D+04)/T/T & +(-2.83235D+04)/T+( 3.02154D+01)+( 8.72417D-04)*T & +(-7.96704D-08)*T*T+( 4.23814D-12)*T*T*T) RF(215) = 1.300D+07 * EXP( 1.900*ALOGT + 0.95000*RTR ) RB(215) = EXP(+(-1.70913D+07)/T/T/T+( 2.03538D+05)/T/T & +(-3.63733D+04)/T+( 2.98332D+01)+( 1.64388D-03)*T & +(-2.66353D-07)*T*T+( 2.54809D-11)*T*T*T) RF(216) = 1.000D+13 * EXP( - 13.00000*RTR ) RB(216) = EXP(+( 5.77610D+06)/T/T/T+(-5.85565D+04)/T/T & +(-6.64036D+03)/T+( 2.80903D+01)+(-1.25042D-04)*T & +( 1.06579D-07)*T*T+(-1.37416D-11)*T*T*T) RF(217) = 7.700D+13 RB(217) = EXP(+(-1.15195D+05)/T/T/T+( 3.70437D+03)/T/T & +(-3.91870D+04)/T+( 3.34825D+01)+( 1.28335D-04)*T & +(-6.09734D-08)*T*T+( 1.17563D-11)*T*T*T) RF(218) = 4.000D+13 RB(218) = EXP(+( 3.58094D+06)/T/T/T+( 1.61790D+03)/T/T & +(-1.56856D+04)/T+( 3.72638D+01)+(-1.77215D-03)*T & +( 4.19799D-07)*T*T+(-4.20533D-11)*T*T*T) RF(219) = 8.000D+12 * EXP( - 7.46000*RTR ) RB(219) = EXP(+( 1.12112D+07)/T/T/T+(-1.04447D+05)/T/T & +(-6.18117D+03)/T+( 3.04007D+01)+(-5.92674D-04)*T & +( 1.09753D-07)*T*T+(-6.78097D-12)*T*T*T) RF(220) = 6.140D+12 * EXP( + 0.44000*RTR ) RB(220) = EXP(+( 9.74489D+06)/T/T/T+(-8.41898D+04)/T/T & +(-6.55149D+03)/T+( 3.14501D+01)+(-9.37827D-04)*T & +( 1.92728D-07)*T*T+(-1.59781D-11)*T*T*T) RF(221) = 2.100D+13 * EXP( - 4.71000*RTR ) RB(221) = EXP(+( 1.19870D+06)/T/T/T+( 1.90598D+04)/T/T & +(-1.29037D+04)/T+( 3.34191D+01)+(-7.68749D-04)*T & +( 1.08919D-07)*T*T+(-4.22936D-12)*T*T*T) RF(222) = 2.350D+13 RB(222) = EXP(+(-1.14938D+07)/T/T/T+( 8.92000D+04)/T/T & +(-4.82636D+04)/T+( 2.85074D+01)+( 1.21080D-03)*T & +(-2.96383D-07)*T*T+( 3.36609D-11)*T*T*T) RF(223) = 5.400D+13 RB(223) = EXP(+(-6.02791D+06)/T/T/T+( 2.22350D+04)/T/T & +(-1.22542D+04)/T+( 2.66653D+01)+( 1.79819D-03)*T & +(-4.61205D-07)*T*T+( 5.19708D-11)*T*T*T) RF(224) = 2.500D+12 RB(224) = EXP(+(-7.30823D+06)/T/T/T+( 3.89260D+04)/T/T & +( 3.05061D+03)/T+( 2.63396D+01)+( 6.29567D-04)*T & +(-9.75183D-08)*T*T+( 1.02891D-11)*T*T*T) RF(227) = 8.800D+16 * EXP( -0.500*ALOGT - 48.00000*RTR ) RB(227) = EXP(+( 4.40585D+06)/T/T/T+(-9.77710D+04)/T/T & +( 3.97767D+03)/T+( 3.12560D+01)+( 9.17754D-04)*T & +(-2.03158D-07)*T*T+( 2.25178D-11)*T*T*T) RF(231) = 1.107D+04 * EXP( 2.640*ALOGT - 4.98000*RTR ) RB(231) = EXP(+(-1.97317D+07)/T/T/T+( 2.60075D+05)/T/T & +(-8.41981D+03)/T+( 2.97173D+01)+( 1.10606D-03)*T & +(-1.18359D-07)*T*T+( 7.12559D-12)*T*T*T) RF(232) = 2.767D+03 * EXP( 2.640*ALOGT - 4.98000*RTR ) RB(232) = EXP(+(-2.57596D+07)/T/T/T+( 2.82310D+05)/T/T & +(-2.06740D+04)/T+( 2.33761D+01)+( 2.90425D-03)*T & +(-5.79565D-07)*T*T+( 5.90964D-11)*T*T*T) RF(233) = 2.134D+09 * EXP( 1.580*ALOGT - 26.60000*RTR ) RB(233) = EXP(+(-1.50098D+07)/T/T/T+( 1.53340D+05)/T/T & +(-2.93679D+03)/T+( 2.87413D+01)+( 2.02703D-03)*T & +(-3.71210D-07)*T*T+( 3.23885D-11)*T*T*T) RF(234) = 1.100D+06 * EXP( 2.030*ALOGT - 13.37000*RTR ) RB(234) = EXP(+(-2.34782D+07)/T/T/T+( 2.90353D+05)/T/T & +(-4.62820D+03)/T+( 3.22297D+01)+( 4.27065D-04)*T & +(-4.66065D-10)*T*T+(-1.12570D-12)*T*T*T) RF(235) = 4.400D+03 * EXP( 2.260*ALOGT - 6.40000*RTR ) RB(235) = EXP(+(-2.88055D+07)/T/T/T+( 3.55222D+05)/T/T & +(-1.42509D+04)/T+( 2.89048D+01)+( 1.30570D-04)*T & +( 7.93026D-08)*T*T+(-1.07104D-11)*T*T*T) RF(237) = 1.400D+26 * EXP( -3.400*ALOGT - 1.90000*RTR ) RB(237) = EXP(+( 8.34664D+04)/T/T/T+(-1.75641D+04)/T/T & +(-1.25066D+04)/T+( 3.91120D+01)+(-3.47261D-03)*T & +( 7.10790D-07)*T*T+(-7.50371D-11)*T*T*T) RF(240) = 2.857D+08 * EXP( 1.100*ALOGT - 20.40000*RTR ) RB(240) = EXP(+(-3.70446D+06)/T/T/T+( 9.88473D+04)/T/T & +(-9.88353D+03)/T+( 2.99907D+01)+(-1.15964D-05)*T & +( 5.22099D-08)*T*T+(-7.33633D-12)*T*T*T) RFH241 = 3.100D+12 * EXP( 0.150*ALOGT ) RFL241 = 1.300D+25 * EXP( -3.160*ALOGT - 0.74000*RTR ) PR = RFL241*XM(241)/RFH241 PRLOG = DLOG10(PR) F4 = 0.6670 F5 = 235.00 F6 = 2117.00 F7 = 4536.00 FC = (1.0-F4)*EXP(-T/F5)+F4*EXP(-T/F6)+EXP(-F7/T) FCLOG = DLOG10(FC) CPRLOG = PRLOG - (0.4 + 0.67*FCLOG) X = CPRLOG/(0.75-1.27*FCLOG-0.14*CPRLOG) F = 10.0**( FCLOG/(1.0+X*X) ) PCOR = PR*F/(1.0+PR) RF(241) = RFH241*PCOR RB(241) = EXP(+( 4.31061D+06)/T/T/T+( 2.47258D+04)/T/T & +(-1.64590D+04)/T+( 3.52285D+01)+(-1.91889D-03)*T & +( 4.61926D-07)*T*T+(-5.00167D-11)*T*T*T) RB(241) = RB(241)*PCOR RF(246) = 5.000D+13 RB(246) = EXP(+( 5.30969D+06)/T/T/T+(-2.44984D+04)/T/T & +(-3.66742D+04)/T+( 3.57140D+01)+(-6.39014D-04)*T & +( 1.48328D-07)*T*T+(-1.52209D-11)*T*T*T) RF(247) = 2.000D+13 RB(247) = EXP(+( 6.25683D+06)/T/T/T+(-2.62247D+04)/T/T & +(-4.09018D+04)/T+( 3.72676D+01)+(-1.65287D-03)*T & +( 4.45767D-07)*T*T+(-4.99128D-11)*T*T*T) RF(248) = 3.000D+13 RB(248) = EXP(+(-6.58612D+06)/T/T/T+( 9.73758D+04)/T/T & +(-2.13979D+04)/T+( 3.39138D+01)+(-6.43304D-04)*T & +( 1.70590D-07)*T*T+(-1.68582D-11)*T*T*T) RF(249) = 3.100D+17 * EXP( -1.380*ALOGT - 1.27000*RTR ) RB(249) = EXP(+( 9.04250D+06)/T/T/T+(-9.33300D+04)/T/T & +(-4.62700D+04)/T+( 3.81757D+01)+(-2.87825D-03)*T & +( 6.56308D-07)*T*T+(-6.99683D-11)*T*T*T) RF(250) = 2.900D+14 * EXP( -0.690*ALOGT - 0.76000*RTR ) RB(250) = EXP(+( 1.47410D+07)/T/T/T+(-1.56010D+05)/T/T & +(-3.68672D+04)/T+( 3.07272D+01)+(-6.39974D-04)*T & +( 1.12383D-07)*T*T+(-1.25300D-11)*T*T*T) RF(251) = 3.800D+13 * EXP( -0.360*ALOGT - 0.58000*RTR ) RB(251) = EXP(+( 9.12667D+06)/T/T/T+(-6.04661D+04)/T/T & +(-1.16237D+04)/T+( 3.57747D+01)+(-2.22801D-03)*T & +( 5.37507D-07)*T*T+(-5.84946D-11)*T*T*T) RF(252) = 3.100D+17 * EXP( -1.380*ALOGT - 1.27000*RTR ) RB(252) = EXP(+( 1.74248D+07)/T/T/T+(-1.76631D+05)/T/T & +(-5.05028D+04)/T+( 3.72030D+01)+(-2.82723D-03)*T & +( 6.52016D-07)*T*T+(-7.04135D-11)*T*T*T) RF(254) = 3.800D+13 * EXP( -0.360*ALOGT - 0.58000*RTR ) RB(254) = EXP(+( 1.75090D+07)/T/T/T+(-1.43767D+05)/T/T & +(-1.58564D+04)/T+( 3.48020D+01)+(-2.17698D-03)*T & +( 5.33215D-07)*T*T+(-5.89399D-11)*T*T*T) RF(255) = 9.600D+13 * EXP( - 28.80000*RTR ) RB(255) = EXP(+( 1.39634D+07)/T/T/T+(-1.43175D+05)/T/T & +(-5.54582D+04)/T+( 3.30916D+01)+( 4.14605D-04)*T & +(-8.98745D-08)*T*T+( 5.96125D-12)*T*T*T) RF(256) = 1.000D+12 * EXP( - 21.75000*RTR ) RB(256) = EXP(+( 1.77989D+05)/T/T/T+( 1.83639D+04)/T/T & +(-5.28756D+03)/T+( 2.78234D+01)+(-7.43415D-04)*T & +( 2.71674D-07)*T*T+(-3.80114D-11)*T*T*T) RF(257) = 2.200D+13 RB(257) = EXP(+(-1.07225D+07)/T/T/T+( 5.31245D+04)/T/T & +(-7.28023D+04)/T+( 2.96353D+01)+( 1.59726D-03)*T & +(-3.36167D-07)*T*T+( 3.61408D-11)*T*T*T) RF(259) = 1.200D+13 RB(259) = EXP(+(-1.37054D+07)/T/T/T+( 8.88308D+04)/T/T & +(-2.08842D+04)/T+( 2.57664D+01)+( 1.54067D-03)*T & +(-3.57642D-07)*T*T+( 4.14610D-11)*T*T*T) RF(260) = 1.200D+13 RB(260) = EXP(+(-1.98693D+07)/T/T/T+( 1.74639D+05)/T/T & +(-2.97969D+04)/T+( 2.97061D+01)+( 7.06348D-04)*T & +(-1.30571D-07)*T*T+( 1.53858D-11)*T*T*T) RF(261) = 1.000D+14 RB(261) = EXP(+(-1.36977D+07)/T/T/T+( 1.03509D+05)/T/T & +(-3.46997D+04)/T+( 2.87733D+01)+( 2.06746D-03)*T & +(-5.39796D-07)*T*T+( 6.21440D-11)*T*T*T) RF(262) = 9.800D+07 * EXP( 1.410*ALOGT - 8.50000*RTR ) RB(262) = EXP(+(-3.16029D+06)/T/T/T+( 5.99194D+04)/T/T & +(-2.50062D+04)/T+( 2.80130D+01)+( 2.01679D-03)*T & +(-4.52515D-07)*T*T+( 4.71923D-11)*T*T*T) RF(264) = 2.200D+06 * EXP( 2.110*ALOGT - 11.40000*RTR ) RB(264) = EXP(+(-4.47705D+06)/T/T/T+( 7.64111D+04)/T/T & +(-1.72510D+03)/T+( 2.62469D+01)+( 2.36468D-03)*T & +(-4.70136D-07)*T*T+( 4.52391D-11)*T*T*T) RF(265) = 2.250D+07 * EXP( 1.700*ALOGT - 3.80000*RTR ) RB(265) = EXP(+(-1.79684D+07)/T/T/T+( 1.85088D+05)/T/T & +(-5.01419D+03)/T+( 2.27660D+01)+( 3.42053D-03)*T & +(-7.96450D-07)*T*T+( 8.43401D-11)*T*T*T) RF(267) = 4.650D+12 * EXP( - 6.85000*RTR ) RB(267) = EXP(+( 3.47294D+06)/T/T/T+(-2.50404D+04)/T/T & +(-7.11856D+03)/T+( 2.92598D+01)+( 5.04732D-04)*T & +(-1.25204D-07)*T*T+( 1.12364D-11)*T*T*T) RF(268) = 1.550D+12 * EXP( - 6.85000*RTR ) RB(268) = EXP(+(-2.79088D+06)/T/T/T+( 4.71944D+04)/T/T & +(-1.83966D+04)/T+( 3.00369D+01)+( 4.71447D-04)*T & +(-1.60125D-07)*T*T+( 1.84826D-11)*T*T*T) RF(270) = 2.100D+15 * EXP( -0.690*ALOGT - 2.85000*RTR ) RB(270) = EXP(+(-2.66903D+06)/T/T/T+(-1.38787D+02)/T/T & +(-3.59440D+04)/T+( 3.09169D+01)+(-3.85255D-04)*T & +( 6.68268D-08)*T*T+(-6.24650D-12)*T*T*T) RF(271) = 2.700D+11 * EXP( 0.180*ALOGT - 2.12000*RTR ) RB(271) = EXP(+( 1.61957D+06)/T/T/T+(-4.49685D+04)/T/T & +(-2.65455D+04)/T+( 2.27067D+01)+( 1.99756D-03)*T & +(-5.05449D-07)*T*T+( 5.40429D-11)*T*T*T) RF(273) = 2.000D+07 * EXP( 2.000*ALOGT - 2.00000*RTR ) RB(273) = EXP(+(-1.91915D+07)/T/T/T+( 2.40395D+05)/T/T & +(-1.52670D+04)/T+( 3.10327D+01)+( 1.12481D-03)*T & +(-1.99005D-07)*T*T+( 1.84519D-11)*T*T*T) RF(274) = 2.350D+13 RB(274) = EXP(+(-7.81095D+06)/T/T/T+( 8.89089D+04)/T/T & +(-2.53906D+04)/T+( 3.33860D+01)+(-2.17385D-04)*T & +( 3.74679D-08)*T*T+(-1.69619D-12)*T*T*T) RF(275) = 6.100D+14 * EXP( -0.310*ALOGT - 0.29000*RTR ) RB(275) = EXP(+(-5.19145D+06)/T/T/T+( 7.47356D+04)/T/T & +(-1.90527D+04)/T+( 3.42864D+01)+(-1.68203D-03)*T & +( 5.04889D-07)*T*T+(-6.30705D-11)*T*T*T) RETURN END SUBROUTINE NETRATE( W, RF, RB, XM, XH2, XH, XO, XO2, XOH, XH2O, & XHO2, XH2O2, XC, XCH, XCH2, XCH2S, XCH3, XCH4, & XCO, XCO2, XHCO, XCH2O, XCH2OH, XCH3O, XCH3OH, & XC2H, XC2H2, XC2H3, XC2H4, XC2H5, XC2H6, & XHCCO, XCH2CO, XHCCOH, XN, XNH, XNH2, XNNH, & XNO, XNO2, XN2O, XHNO, XCN, XHCN, XH2CN, & XHCNN, XHCNO, XHOCN, XHNCO, XNCO, XN2 ) C*****double precision IMPLICIT DOUBLE PRECISION (A-H, O-Z), INTEGER (I-N) C*****END double precision C*****single precision C IMPLICIT REAL (A-H, O-Z), INTEGER (I-N) C*****END single precision DIMENSION W(*), RF(*), RB(*), XM(*) C NET PRODUCTION RATES FOR SKELETAL MECHANSIM W(3) = RF(3)*XH2*XO - RB(3)*XH*XOH W(4) = RF(4)*XO*XHO2 - RB(4)*XO2*XOH W(5) = RF(5)*XO*XH2O2 - RB(5)*XOH*XHO2 W(7) = RF(7)*XO*XCH2 - RB(7)*XH*XHCO W(10) = RF(10)*XO*XCH3 - RB(10)*XH*XCH2O W(11) = RF(11)*XO*XCH4 - RB(11)*XOH*XCH3 W(15) = RF(15)*XO*XCH2O - RB(15)*XOH*XHCO W(18) = RF(18)*XO*XCH3OH - RB(18)*XOH*XCH2OH W(19) = RF(19)*XO*XCH3OH - RB(19)*XOH*XCH3O W(21) = RF(21)*XO*XC2H2 - RB(21)*XH*XHCCO W(22) = RF(22)*XO*XC2H2 - RB(22)*XOH*XC2H W(23) = RF(23)*XO*XC2H2 - RB(23)*XCH2*XCO W(24) = RF(24)*XO*XC2H3 - RB(24)*XH*XCH2CO W(25) = RF(25)*XO*XC2H4 - RB(25)*XCH3*XHCO W(26) = RF(26)*XO*XC2H5 - RB(26)*XCH3*XCH2O W(27) = RF(27)*XO*XC2H6 - RB(27)*XOH*XC2H5 W(28) = RF(28)*XO*XHCCO - RB(28)*XH*XCO*XCO W(29) = RF(29)*XO*XCH2CO - RB(29)*XOH*XHCCO W(30) = RF(30)*XO*XCH2CO - RB(30)*XCH2*XCO2 W(33) = RF(33)*XH*XO2*XM(33) - RB(33)*XHO2*XM(33) W(35) = RF(35)*XH*XO2*XH2O - RB(35)*XHO2*XH2O W(36) = RF(36)*XH*XO2*XN2 - RB(36)*XHO2*XN2 W(38) = RF(38)*XH*XO2 - RB(38)*XO*XOH W(43) = RF(43)*XH*XOH*XM(43) - RB(43)*XH2O*XM(43) W(45) = RF(45)*XH*XHO2 - RB(45)*XH2*XO2 W(46) = RF(46)*XH*XHO2 - RB(46)*XOH*XOH W(47) = RF(47)*XH*XH2O2 - RB(47)*XH2*XHO2 W(49) = RF(49)*XH*XCH - RB(49)*XH2*XC W(52) = RF(52)*XH*XCH3 - RB(52)*XCH4 W(53) = RF(53)*XH*XCH4 - RB(53)*XH2*XCH3 W(55) = RF(55)*XH*XHCO - RB(55)*XH2*XCO W(56) = RF(56)*XH*XCH2O - RB(56)*XCH2OH W(57) = RF(57)*XH*XCH2O - RB(57)*XCH3O W(58) = RF(58)*XH*XCH2O - RB(58)*XH2*XHCO W(61) = RF(61)*XH*XCH2OH - RB(61)*XOH*XCH3 W(62) = RF(62)*XH*XCH2OH - RB(62)*XH2O*XCH2S W(66) = RF(66)*XH*XCH3O - RB(66)*XOH*XCH3 W(68) = RF(68)*XH*XCH3OH - RB(68)*XH2*XCH2OH W(69) = RF(69)*XH*XCH3OH - RB(69)*XH2*XCH3O W(71) = RF(71)*XH*XC2H2 - RB(71)*XC2H3 W(73) = RF(73)*XH*XC2H3 - RB(73)*XH2*XC2H2 W(74) = RF(74)*XH*XC2H4 - RB(74)*XC2H5 W(75) = RF(75)*XH*XC2H4 - RB(75)*XH2*XC2H3 W(78) = RF(78)*XH*XC2H6 - RB(78)*XH2*XC2H5 W(79) = RF(79)*XH*XHCCO - RB(79)*XCH2S*XCO W(80) = RF(80)*XH*XCH2CO - RB(80)*XH2*XHCCO W(81) = RF(81)*XH*XCH2CO - RB(81)*XCH3*XCO W(82) = RF(82)*XHCCOH*XH - RB(82)*XCH2CO*XH W(83) = RF(83)*XH2*XCO - RB(83)*XCH2O W(84) = RF(84)*XH2*XOH - RB(84)*XH*XH2O W(85) = RF(85)*XOH*XOH - RB(85)*XH2O2 W(86) = RF(86)*XOH*XOH - RB(86)*XO*XH2O W(87) = RF(87)*XOH*XHO2 - RB(87)*XO2*XH2O W(88) = RF(88)*XOH*XH2O2 - RB(88)*XH2O*XHO2 W(89) = RF(89)*XOH*XH2O2 - RB(89)*XH2O*XHO2 W(90) = RF(90)*XOH*XC - RB(90)*XH*XCO W(92) = RF(92)*XOH*XCH2 - RB(92)*XH*XCH2O W(93) = RF(93)*XOH*XCH2 - RB(93)*XH2O*XCH W(95) = RF(95)*XOH*XCH3 - RB(95)*XCH3OH W(96) = RF(96)*XOH*XCH3 - RB(96)*XH2O*XCH2 W(97) = RF(97)*XOH*XCH3 - RB(97)*XH2O*XCH2S W(98) = RF(98)*XOH*XCH4 - RB(98)*XH2O*XCH3 W(99) = RF(99)*XOH*XCO - RB(99)*XH*XCO2 W(100) = RF(100)*XOH*XHCO - RB(100)*XH2O*XCO W(101) = RF(101)*XOH*XCH2O - RB(101)*XH2O*XHCO W(104) = RF(104)*XOH*XCH3OH - RB(104)*XH2O*XCH2OH W(105) = RF(105)*XOH*XCH3OH - RB(105)*XH2O*XCH3O W(106) = RF(106)*XOH*XC2H - RB(106)*XH*XHCCO W(107) = RF(107)*XOH*XC2H2 - RB(107)*XH*XCH2CO W(108) = RF(108)*XOH*XC2H2 - RB(108)*XH*XHCCOH W(109) = RF(109)*XOH*XC2H2 - RB(109)*XH2O*XC2H W(111) = RF(111)*XOH*XC2H3 - RB(111)*XH2O*XC2H2 W(112) = RF(112)*XOH*XC2H4 - RB(112)*XH2O*XC2H3 W(113) = RF(113)*XOH*XC2H6 - RB(113)*XH2O*XC2H5 W(114) = RF(114)*XOH*XCH2CO - RB(114)*XH2O*XHCCO W(122) = RF(122)*XO2*XC - RB(122)*XO*XCO W(125) = RF(125)*XO2*XCH - RB(125)*XO*XHCO W(126) = RF(126)*XH2*XCH - RB(126)*XH*XCH2 W(127) = RF(127)*XH2O*XCH - RB(127)*XH*XCH2O W(130) = RF(130)*XCH*XCH4 - RB(130)*XH*XC2H4 W(132) = RF(132)*XCH*XCO2 - RB(132)*XCO*XHCO W(133) = RF(133)*XCH*XCH2O - RB(133)*XH*XCH2CO W(135) = RF(135)*XO2*XCH2 - RB(135)*XOH*XHCO W(137) = RF(137)*XCH2*XCH2 - RB(137)*XH2*XC2H2 W(138) = RF(138)*XCH2*XCH3 - RB(138)*XH*XC2H4 W(140) = RF(140)*XCH2*XCO - RB(140)*XCH2CO W(142) = RF(142)*XCH2S*XN2 - RB(142)*XCH2*XN2 W(144) = RF(144)*XO2*XCH2S - RB(144)*XH*XOH*XCO W(145) = RF(145)*XO2*XCH2S - RB(145)*XH2O*XCO W(146) = RF(146)*XH2*XCH2S - RB(146)*XH*XCH3 W(147) = RF(147)*XH2O*XCH2S - RB(147)*XCH3OH W(148) = RF(148)*XCH2S*XH2O - RB(148)*XCH2*XH2O W(153) = RF(153)*XCH2S*XCO2 - RB(153)*XCO*XCH2O W(155) = RF(155)*XO2*XCH3 - RB(155)*XO*XCH3O W(158) = RF(158)*XCH3*XCH3 - RB(158)*XC2H6 W(159) = RF(159)*XCH3*XCH3 - RB(159)*XH*XC2H5 W(160) = RF(160)*XCH3*XHCO - RB(160)*XCH4*XCO W(161) = RF(161)*XCH3*XCH2O - RB(161)*XCH4*XHCO W(166) = RF(166)*XHCO*XH2O - RB(166)*XH*XCO*XH2O W(167) = RF(167)*XHCO*XM(167) - RB(167)*XH*XCO*XM(167) W(168) = RF(168)*XO2*XHCO - RB(168)*XHO2*XCO W(169) = RF(169)*XO2*XCH2OH - RB(169)*XHO2*XCH2O W(170) = RF(170)*XO2*XCH3O - RB(170)*XHO2*XCH2O W(171) = RF(171)*XO2*XC2H - RB(171)*XCO*XHCO W(173) = RF(173)*XO2*XC2H3 - RB(173)*XHCO*XCH2O W(176) = RF(176)*XO2*XHCCO - RB(176)*XOH*XCO*XCO W(178) = RF(178)*XN*XNO - RB(178)*XO*XN2 W(179) = RF(179)*XO2*XN - RB(179)*XO*XNO W(180) = RF(180)*XOH*XN - RB(180)*XH*XNO W(181) = RF(181)*XO*XN2O - RB(181)*XO2*XN2 W(182) = RF(182)*XO*XN2O - RB(182)*XNO*XNO W(183) = RF(183)*XH*XN2O - RB(183)*XOH*XN2 W(185) = RF(185)*XN2O - RB(185)*XO*XN2 W(186) = RF(186)*XHO2*XNO - RB(186)*XOH*XNO2 W(187) = RF(187)*XO*XNO*XM(187) - RB(187)*XNO2*XM(187) W(188) = RF(188)*XO*XNO2 - RB(188)*XO2*XNO W(189) = RF(189)*XH*XNO2 - RB(189)*XOH*XNO W(190) = RF(190)*XO*XNH - RB(190)*XH*XNO W(191) = RF(191)*XH*XNH - RB(191)*XH2*XN W(192) = RF(192)*XOH*XNH - RB(192)*XH*XHNO W(193) = RF(193)*XOH*XNH - RB(193)*XH2O*XN W(194) = RF(194)*XO2*XNH - RB(194)*XO*XHNO W(197) = RF(197)*XH2O*XNH - RB(197)*XH2*XHNO W(199) = RF(199)*XNH*XNO - RB(199)*XH*XN2O W(200) = RF(200)*XO*XNH2 - RB(200)*XOH*XNH W(201) = RF(201)*XO*XNH2 - RB(201)*XH*XHNO W(202) = RF(202)*XH*XNH2 - RB(202)*XH2*XNH W(203) = RF(203)*XOH*XNH2 - RB(203)*XH2O*XNH W(204) = RF(204)*XNNH - RB(204)*XH*XN2 W(205) = RF(205)*XNNH*XM(205) - RB(205)*XH*XN2*XM(205) W(206) = RF(206)*XO2*XNNH - RB(206)*XHO2*XN2 W(207) = RF(207)*XO*XNNH - RB(207)*XOH*XN2 W(208) = RF(208)*XO*XNNH - RB(208)*XNH*XNO W(209) = RF(209)*XH*XNNH - RB(209)*XH2*XN2 W(210) = RF(210)*XOH*XNNH - RB(210)*XH2O*XN2 W(212) = RF(212)*XH*XNO*XM(212) - RB(212)*XHNO*XM(212) W(213) = RF(213)*XO*XHNO - RB(213)*XOH*XNO W(214) = RF(214)*XH*XHNO - RB(214)*XH2*XNO W(215) = RF(215)*XOH*XHNO - RB(215)*XH2O*XNO W(216) = RF(216)*XO2*XHNO - RB(216)*XHO2*XNO W(217) = RF(217)*XO*XCN - RB(217)*XCO*XN W(218) = RF(218)*XOH*XCN - RB(218)*XH*XNCO W(219) = RF(219)*XH2O*XCN - RB(219)*XOH*XHCN W(220) = RF(220)*XO2*XCN - RB(220)*XO*XNCO W(221) = RF(221)*XH2*XCN - RB(221)*XH*XHCN W(222) = RF(222)*XO*XNCO - RB(222)*XCO*XNO W(223) = RF(223)*XH*XNCO - RB(223)*XCO*XNH W(224) = RF(224)*XOH*XNCO - RB(224)*XH*XCO*XNO W(227) = RF(227)*XNCO*XM(227) - RB(227)*XCO*XN*XM(227) W(231) = RF(231)*XO*XHCN - RB(231)*XH*XNCO W(232) = RF(232)*XO*XHCN - RB(232)*XCO*XNH W(233) = RF(233)*XO*XHCN - RB(233)*XOH*XCN W(234) = RF(234)*XOH*XHCN - RB(234)*XH*XHOCN W(235) = RF(235)*XOH*XHCN - RB(235)*XH*XHNCO W(237) = RF(237)*XH*XHCN*XM(237) - RB(237)*XH2CN*XM(237) W(240) = RF(240)*XCH*XN2 - RB(240)*XN*XHCN W(241) = RF(241)*XCH*XN2 - RB(241)*XHCNN W(246) = RF(246)*XCH*XNO - RB(246)*XO*XHCN W(247) = RF(247)*XCH*XNO - RB(247)*XH*XNCO W(248) = RF(248)*XCH*XNO - RB(248)*XHCO*XN W(249) = RF(249)*XCH2*XNO - RB(249)*XH*XHNCO W(250) = RF(250)*XCH2*XNO - RB(250)*XOH*XHCN W(251) = RF(251)*XCH2*XNO - RB(251)*XH*XHCNO W(252) = RF(252)*XCH2S*XNO - RB(252)*XH*XHNCO W(254) = RF(254)*XCH2S*XNO - RB(254)*XH*XHCNO W(255) = RF(255)*XCH3*XNO - RB(255)*XH2O*XHCN W(256) = RF(256)*XCH3*XNO - RB(256)*XOH*XH2CN W(257) = RF(257)*XO*XHCNN - RB(257)*XH*XCO*XN2 W(259) = RF(259)*XO2*XHCNN - RB(259)*XO*XHCO*XN2 W(260) = RF(260)*XOH*XHCNN - RB(260)*XH*XHCO*XN2 W(261) = RF(261)*XH*XHCNN - RB(261)*XCH2*XN2 W(262) = RF(262)*XO*XHNCO - RB(262)*XCO2*XNH W(264) = RF(264)*XO*XHNCO - RB(264)*XOH*XNCO W(265) = RF(265)*XH*XHNCO - RB(265)*XCO*XNH2 W(267) = RF(267)*XOH*XHNCO - RB(267)*XH2O*XNCO W(268) = RF(268)*XOH*XHNCO - RB(268)*XCO2*XNH2 W(270) = RF(270)*XHCNO*XH - RB(270)*XHNCO*XH W(271) = RF(271)*XH*XHCNO - RB(271)*XOH*XHCN W(273) = RF(273)*XHOCN*XH - RB(273)*XHNCO*XH W(274) = RF(274)*XHCCO*XNO - RB(274)*XCO*XHCNO W(275) = RF(275)*XCH3*XN - RB(275)*XH*XH2CN RETURN END