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USER_PRINT10 alpha = 10^LK_NAMED("Log_alpha_18O_H2O(g)/H2O(l)")20 REM calculate 18O ratio for -10 permil30 r_std = 2005.2e-640 REM (r_smp/r_std - 1)*1000 = permil50 permil = -1060 r_gas = (permil/1000+1)*r_std70 r_soln = r_gas / alpha80 PRINT " R Permil"90 soln_permil = (r_soln/r_std - 1)*1000100 gas_permil = (r_gas/r_std - 1)*1000110 PRINT "18O(aq): ", r_soln, soln_permil120 PRINT "18O(g): ", r_gas, gas_permilSOLUTION 1[18O] -0.72ENDPRINT-user_print falseENDUSE solution 1GAS_PHASE 1-fixed_volumeH2O(g) 0H2[18O](g) 0-vol 1e-3END

RATESEvap_H2O-start10 rate = 1 / 8640020 moles = rate * TIME30 SAVE -moles40 PUT(rate, 1)-endEvap_HDO-start10 alpha = 10^LK_NAMED("Log_alpha_D_H2O(g)/H2O(l)")20 r_d_soln = CALC_VALUE("R(D)")30 moles = GET(1)*2*R_d_soln*alpha*TIME40 SAVE -moles-endEvap_H2[18O]-start10 alpha = 10^LK_NAMED("Log_alpha_18O_H2O(g)/H2O(l)")20 r_18O_soln = CALC_VALUE("R(18O)")30 moles = GET(1)*r_18O_soln*alpha*TIME40 SAVE -moles-endSOLUTION 1pH 7 charge[18O] -0.47D 2.69O(0) 1 O2(g) -0.7 10ENDKINETICS 1-cvodeEvap_H2O -formula H2O 1 -m 0 -m0 0 -tol 1e-08Evap_HDO -formula HDO 1 -m 0 -m0 0 -tol 1e-08Evap_H2[18O] -formula H2[18O] 1 -m 0 -m0 0 -tol 1e-08-steps 54*86400 # 54 moles of H2O removed-bad_step_max 500ENDINCREMENTAL_REACTIONSUSE solution 1USE kinetics 1USER_GRAPH 1 -headings day Solution_D Delta_kin_D Kin_D -axis_titles "Days" "D, permil" "" -initial_solutions false -connect_simulations true -plot_concentration_vs x -start 5 r_std = 155.76e-6 10 GRAPH_X TOTAL_TIME / 86400 20 GRAPH_Y (CALC_VALUE("R(D)")/r_std - 1) * 1000 30 r = KIN_DELTA("Evap_HDO")/(2*KIN_DELTA("Evap_H2O")) 40 GRAPH_Y (r/r_std - 1) * 1000 50 r = (KIN("Evap_HDO"))/(KIN("Evap_H2O")*2) 60 GRAPH_Y (r/r_std - 1) * 1000 -endUSER_GRAPH 2 -headings day Solution_18O Delta_kin_18O Kin_18O -axis_titles "Days" "18O permil" "" -initial_solutions false -connect_simulations true -plot_concentration_vs x -start 10 GRAPH_X TOTAL_TIME / 86400100 r_std = 2005.2e-6 110 GRAPH_SY (CALC_VALUE("R(18O)")/r_std - 1) * 1000 130 r = KIN_DELTA("Evap_H2[18O]")/KIN_DELTA("Evap_H2O")140 GRAPH_SY (r/r_std - 1) * 1000150 r = (KIN("Evap_H2[18O]"))/(KIN("Evap_H2O"))160 GRAPH_SY (r/R_std - 1) * 1000 -endEND

Evap_HDO-start10 alpha = 10^LK_NAMED("Log_alpha_D_H2O(g)/H2O(l)")20 r_d_soln = CALC_VALUE("R(D)")30 moles = GET(1)*2*R_d_soln*alpha*TIME40 SAVE -moles-endEvap_H2[18O]-start10 alpha = 10^LK_NAMED("Log_alpha_18O_H2O(g)/H2O(l)")20 r_18O_soln = CALC_VALUE("R(18O)")30 moles = GET(1)*r_18O_soln*alpha*TIME40 SAVE -moles-end

USER_GRAPH 3 -headings permil Rate_HDO -axis_titles "D solution, permil" "Evaporation HDO, mol/day" "" -initial_solutions false -connect_simulations true -plot_concentration_vs x -start5 r_std = 155.76e-6 20 GRAPH_X (CALC_VALUE("R(D)")/r_std - 1) * 100040 GRAPH_Y KIN_DELTA("Evap_HDO")/KIN_TIME * 86400 -end