This example:
In the [Reactants Window] there are 3 reactants (Inflows):
55.508 H2O + 10 CH4O + <A> MgSO4 =
OLI options in effect: '2nd liquid'.
The amount alpha, <A>, of MgSO4 is not specified in the [Reactants Window]. Depending up on the type of calculation being performed, <A> may be set in the [Menu Window] (as in this present example) or calculated in the equilibrium (in which case <A> would be called the target variable).
In the [Menu Window] <A> is given the composition range '4 7', the product T and P are 25 C and 1 atm, and the option 'Equilibrium Transitions' is selected. That is, in addition to calculating the equilibrium at both 4 mol MgSO4 and 7 mol MgSO4, Equilib will also calculate all phase transitions within this composition range.
All data are taken from OLIP (Public.ddb) - the OLI Systems public databank. For this example to work both FactSage and the OLI StreamAnalyzer must be installed on the PC, and the OLIP (Public.ddb) databank must included in the list of databases.
The following show the Equilib results at <A> = 4 (initial composition), <A> = 4.862 (liquid-2 phase formation), <A> = 6.395 (MGSO4.7H2O starts to precipitate) and <A> = 7.0 (final composition).
Unlike FactSage compound species, OLI species can not be extrapolated outside their reported temperature ranges. For example in the present MGSO4.1H2O: 69 - 240 C, and MGSO4.6H2O: 50 - 69 C, are excluded from the calculation.
---------------------------------------------------------------- FactSage results at <A> = 4 (initial composition) OLI options in effect: '2nd liquid' ---------------------------------------------------------------- [FACT Format] 55.508 H2O + 10 CH4O + MgSO4 = 0.00000 mol ( 0.89702E-01 CH4O_METHANOLVAP + 0.28978E-01 H2OVAP + 0.28319E-28 H2O4S_H2SO4VAP + 0.87332E-36 O3S_SO3VAP) ( 25.00 C, 1 atm, gas_OLI, a=0.11868) + 0.00000 mol ( 0.96824 H2O_liq2 + 0.14672E-18 H2O4S_H2SO4_liq2 + 0.31755E-01 CH4O_METHANOL_liq2 + 0.58207E-33 O3S_SO3_liq2) ( 25.00 C, 1 atm, liquid2#1, a=0.95209) + 0.00000 mol ( 0.49203 H2O_liq2 ! + 0.17031E-16 H2O4S_H2SO4_liq2 ! + 0.50797 CH4O_METHANOL_liq2 ! + 0.90240E-32 O3S_SO3_liq2 !) ( 25.00 C, 1 atm, liquid2#2, a=0.88685) + 1.0000 mol ( 55.508 H2O + 10.000 CH4O_METHANOLAQ + 0.31830E-01 MgO4S_MGSO4AQ + 3.9682 O4S[-2]_SO4ION + 3.9682 Mg[+2]_MGION + 0.66213E-06 HO4S[-1]_HSO4ION + 0.59281E-06 HMgO[+1]_MGOHION + 0.23820E-06 H[+1]_HION + 0.30752E-06 HO[-1]_OHION + 0.12889E-23 H2O4S_H2SO4AQ + 0.18331E-27 O3S_SO3AQ) ( 25.00 C, 1 atm, aqu_OLI) + 0.00000 mol H14MgO11S_MGSO4.7H2O ( 25.00 C, 1 atm, S1, a=0.14543) + 0.00000 mol H2MgO2_MGOH2PPT ( 25.00 C, 1 atm, S1, a=0.26642E-04) where "A" on the reactant side is 4.000 4 product species identified with "!" have been suppressed (dormant) Data on the following OLI constituents are not valid below the given lower or above the given upper temperature limit/K and have not been extrapolated: H2MgO5S_MGSO4.1H2 342.15 H12MgO10S_MGSO4.6 323.14 **************************************************************** H G V S Cp (J) (J) (l) (J/K) (J/K) **************************************************************** -2.36633E+07 -2.52405E+07 1.46798E+00 5.28977E+03 1.95547E+03 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ChemSage Format] T = 25.00 C P = 1.00000E+00 atm V = 1.46798E+00 dm3 STREAM CONSTITUENTS AMOUNT/mol H2OVAP/gas_OLI/ 5.5508E+01 CH4O_METHANOLVAP/gas_OLI/ 1.0000E+01 *MgO4S_MGSO4AQ(aq) 4.0000E+00 EQUIL AMOUNT MOLE FRACTION FUGACITY PHASE: gas_OLI mol atm CH4O_METHANOLVAP 0.0000E+00 7.5583E-01 8.6298E-02 H2OVAP 0.0000E+00 2.4417E-01 2.8199E-02 H2O4S_H2SO4VAP 0.0000E+00 2.3861E-28 2.4338E-29 O3S_SO3VAP 0.0000E+00 7.3586E-36 8.1494E-37 TOTAL: 0.0000E+00 1.0000E+00 1.1868E-01 PHASE: liquid2#1 mol MOLE FRACTION ACTIVITY H2O_liq2 0.0000E+00 9.6824E-01 2.8573E-02 H2O4S_H2SO4_liq2 0.0000E+00 1.4672E-19 2.4661E-29 CH4O_METHANOL_liq2 0.0000E+00 3.1755E-02 8.7442E-02 O3S_SO3_liq2 0.0000E+00 5.8207E-34 8.2573E-37 TOTAL: 0.0000E+00 1.0000E+00 9.5209E-01 PHASE: liquid2#2 mol MOLE FRACTION ACTIVITY H2O_liq2 ! 0.0000E+00 4.9203E-01 2.8573E-02 H2O4S_H2SO4_liq2 ! 0.0000E+00 1.7031E-17 2.4661E-29 CH4O_METHANOL_liq2 ! 0.0000E+00 5.0797E-01 8.7442E-02 O3S_SO3_liq2 ! 0.0000E+00 9.0240E-33 8.2573E-37 TOTAL: 0.0000E+00 1.0000E+00 8.8685E-01 PHASE: aqu_OLI mol MOLALITY ACTIVITY H2O 5.5508E+01 5.5508E+01 9.1016E-01 H2O4S_H2SO4AQ 1.2889E-24 1.2890E-24 9.5216E-24 CH4O_METHANOLAQ 1.0000E+01 1.0000E+01 2.0987E+01 O3S_SO3AQ 1.8331E-28 1.8331E-28 1.3541E-27 MgO4S_MGSO4AQ 3.1830E-02 3.1830E-02 2.3513E-01 HO[-1]_OHION 3.0752E-07 3.0752E-07 8.7077E-08 HO4S[-1]_HSO4ION 6.6213E-07 6.6213E-07 2.3077E-06 Mg[+2]_MGION 3.9682E+00 3.9682E+00 1.5509E-02 HMgO[+1]_MGOHION 5.9281E-07 5.9281E-07 2.2064E-07 H[+1]_HION 2.3820E-07 2.3820E-07 1.0610E-07 O4S[-2]_SO4ION 3.9682E+00 3.9682E+00 2.2884E-01 TOTAL: 7.3476E+01 1.0000E+00 mol ACTIVITY H14MgO11S_MGSO4.7H2O(s) 0.0000E+00 1.4543E-01 H2MgO2_MGOH2PPT(s) 0.0000E+00 2.6642E-05 ******************************************************************** Cp_EQUIL H_EQUIL S_EQUIL G_EQUIL V_EQUIL J.K-1 J J.K-1 J dm3 ******************************************************************** 1.95547E+03 -2.36633E+07 5.28977E+03 -2.52405E+07 1.46798E+00 Properties for aqu_OLI: pH = 6.9743 Total solute molality = 17.9683 Ionic strength = 15.8728 Osmotic coefficient = 0.2908 Debye-Hueckel slope = 0.3915 Density/mol.dm-3 = 71.1899 Absolute viscosity/cP = 3.9100 Diffusivities/m2.sec-1: H2O 2.2874E-12 H2O4S_H2SO4AQ 8.2306E-13 CH4O_METHANOLA 1.2761E-13 O3S_SO3AQ 8.7336E-14 MgO4S_MGSO4AQ 4.9193E-13 HO[-1]_OHION 5.4376E-12 HO4S[-1]_HSO4I 1.0579E-12 Mg[+2]_MGION 1.0544E-12 HMgO[+1]_MGOHI 6.5964E-13 H[+1]_HION 1.1675E-11 O4S[-2]_SO4ION 8.3161E-13 Mole fraction of system components: gas_OLI liquid2#1 liquid2#2 aqu_OLI H(+1) 3.2811E-01 6.5946E-01 4.9598E-01 5.5363E-01 MG(+2) 0.0000E+00 0.0000E+00 0.0000E+00 1.9948E-02 O(-2) 1.6405E-01 3.2973E-01 2.4799E-01 3.5661E-01 S(+6) 1.6032E-28 4.9963E-20 8.5840E-18 1.9948E-02 METHANOL 5.0784E-01 1.0814E-02 2.5602E-01 4.9869E-02 System density/g.cm-3 = 1.22746 4 constituents marked with '!' are dormant Data on the following OLI constituents are not valid below the given lower or above the given upper temperature limit/K and have not been extrapolated: H2MgO5S_MGSO4.1H2 342.15 H12MgO10S_MGSO4.6 323.14 ---------------------------------------------------------------- FactSage results at <A> = 4.862 (liquid-2 formation) OLI options in effect: '2nd liquid' ---------------------------------------------------------------- [FACT Format] 55.508 H2O + 10 CH4O + MgSO4 = 0.00000 mol ( 0.10967 CH4O_METHANOLVAP + 0.28769E-01 H2OVAP + 0.52106E-28 H2O4S_H2SO4VAP + 0.16171E-35 O3S_SO3VAP) ( 25.00 C, 1 atm, gas_OLI, a=0.13844) + 0.00000 mol ( 0.32317 H2O_liq2 + 0.24904E-16 H2O4S_H2SO4_liq2 + 0.67683 CH4O_METHANOL_liq2 + 0.15238E-31 O3S_SO3_liq2) ( 25.00 C, 1 atm, liquid2#1, a= 1.0000) + 0.00000 mol ( 0.95234 H2O_liq2 ! + 0.42222E-18 H2O4S_H2SO4_liq2 ! + 0.47664E-01 CH4O_METHANOL_liq2 ! + 0.13667E-32 O3S_SO3_liq2 !) ( 25.00 C, 1 atm, liquid2#2, a=0.95294) + 1.0000 mol ( 55.508 H2O + 10.000 CH4O_METHANOLAQ + 0.38198E-01 MgO4S_MGSO4AQ + 4.8241 O4S[-2]_SO4ION + 4.8241 Mg[+2]_MGION + 0.74743E-06 HO4S[-1]_HSO4ION + 0.69856E-06 HMgO[+1]_MGOHION + 0.22678E-06 H[+1]_HION + 0.27565E-06 HO[-1]_OHION + 0.15389E-23 H2O4S_H2SO4AQ + 0.22043E-27 O3S_SO3AQ) ( 25.00 C, 1 atm, aqu_OLI) + 0.00000 mol H14MgO11S_MGSO4.7H2O ( 25.00 C, 1 atm, S1, a=0.25550) + 0.00000 mol H2MgO2_MGOH2PPT ( 25.00 C, 1 atm, S1, a=0.26398E-04) where "A" on the reactant side is 4.862 4 product species identified with "!" have been suppressed (dormant) Data on the following OLI constituents are not valid below the given lower or above the given upper temperature limit/K and have not been extrapolated: H2MgO5S_MGSO4.1H2 342.15 H12MgO10S_MGSO4.6 323.14 **************************************************************** H G V S Cp (J) (J) (l) (J/K) (J/K) **************************************************************** -2.48196E+07 -2.63967E+07 1.46146E+00 5.28979E+03 1.52955E+03 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ChemSage Format] T = 25.00 C P = 1.00000E+00 atm V = 1.46146E+00 dm3 STREAM CONSTITUENTS AMOUNT/mol H2OVAP/gas_OLI/ 5.5508E+01 CH4O_METHANOLVAP/gas_OLI/ 1.0000E+01 *MgO4S_MGSO4AQ(aq) 4.8623E+00 EQUIL AMOUNT MOLE FRACTION FUGACITY PHASE: gas_OLI mol atm CH4O_METHANOLVAP 0.0000E+00 7.9220E-01 1.0551E-01 H2OVAP 0.0000E+00 2.0780E-01 2.7998E-02 H2O4S_H2SO4VAP 0.0000E+00 3.7638E-28 4.4731E-29 O3S_SO3VAP 0.0000E+00 1.1681E-35 1.5085E-36 TOTAL: 0.0000E+00 1.0000E+00 1.3844E-01 PHASE: liquid2#1 mol MOLE FRACTION ACTIVITY H2O_liq2 0.0000E+00 3.2317E-01 2.8369E-02 H2O4S_H2SO4_liq2 0.0000E+00 2.4904E-17 4.5323E-29 CH4O_METHANOL_liq2 0.0000E+00 6.7683E-01 1.0690E-01 O3S_SO3_liq2 0.0000E+00 1.5238E-32 1.5285E-36 TOTAL: 0.0000E+00 1.0000E+00 1.0000E+00 PHASE: liquid2#2 mol MOLE FRACTION ACTIVITY H2O_liq2 ! 0.0000E+00 9.5234E-01 2.8369E-02 H2O4S_H2SO4_liq2 ! 0.0000E+00 4.2222E-19 4.5323E-29 CH4O_METHANOL_liq2 ! 0.0000E+00 4.7664E-02 1.0690E-01 O3S_SO3_liq2 ! 0.0000E+00 1.3667E-33 1.5285E-36 TOTAL: 0.0000E+00 1.0000E+00 9.5294E-01 PHASE: aqu_OLI mol MOLALITY ACTIVITY H2O 5.5508E+01 5.5508E+01 9.0366E-01 H2O4S_H2SO4AQ 1.5389E-24 1.5389E-24 1.7499E-23 CH4O_METHANOLAQ 1.0000E+01 1.0000E+01 2.5658E+01 O3S_SO3AQ 2.2043E-28 2.2043E-28 2.5066E-27 MgO4S_MGSO4AQ 3.8198E-02 3.8198E-02 4.3436E-01 HO[-1]_OHION 2.7565E-07 2.7565E-07 7.4348E-08 HO4S[-1]_HSO4ION 7.4743E-07 7.4743E-07 3.6474E-06 Mg[+2]_MGION 4.8241E+00 4.8242E+00 2.1080E-02 HMgO[+1]_MGOHION 6.9856E-07 6.9856E-07 2.5605E-07 H[+1]_HION 2.2678E-07 2.2678E-07 1.2338E-07 O4S[-2]_SO4ION 4.8241E+00 4.8242E+00 3.1103E-01 TOTAL: 7.5194E+01 1.0000E+00 mol ACTIVITY H14MgO11S_MGSO4.7H2O(s) 0.0000E+00 2.5550E-01 H2MgO2_MGOH2PPT(s) 0.0000E+00 2.6398E-05 ******************************************************************** Cp_EQUIL H_EQUIL S_EQUIL G_EQUIL V_EQUIL J.K-1 J J.K-1 J dm3 ******************************************************************** 1.52955E+03 -2.48196E+07 5.28979E+03 -2.63967E+07 1.46146E+00 Properties for aqu_OLI: pH = 6.9087 Total solute molality = 19.6866 Ionic strength = 19.2966 Osmotic coefficient = 0.2856 Debye-Hueckel slope = 0.3915 Density/mol.dm-3 = 86.9260 Absolute viscosity/cP = 6.1282 Diffusivities/m2.sec-1: H2O 2.2800E-21 H2O4S_H2SO4AQ 2.2088E-21 CH4O_METHANOLA 2.1368E-22 O3S_SO3AQ 1.5030E-22 MgO4S_MGSO4AQ 1.1702E-21 HO[-1]_OHION 3.8040E-21 HO4S[-1]_HSO4I 2.4638E-21 Mg[+2]_MGION 8.3640E-23 HMgO[+1]_MGOHI 5.1107E-22 H[+1]_HION 4.4784E-21 O4S[-2]_SO4ION 1.9362E-21 Mole fraction of system components: gas_OLI liquid2#1 liquid2#2 aqu_OLI H(+1) 2.9359E-01 3.9259E-01 6.5573E-01 5.3970E-01 MG(+2) 0.0000E+00 0.0000E+00 0.0000E+00 2.3638E-02 O(-2) 1.4680E-01 1.9630E-01 3.2786E-01 3.6440E-01 S(+6) 2.6588E-28 1.5127E-17 1.4536E-19 2.3638E-02 METHANOL 5.5961E-01 4.1111E-01 1.6409E-02 4.8615E-02 System density/g.cm-3 = 1.30396 4 constituents marked with '!' are dormant Data on the following OLI constituents are not valid below the given lower or above the given upper temperature limit/K and have not been extrapolated: H2MgO5S_MGSO4.1H2 342.15 H12MgO10S_MGSO4.6 323.14 ---------------------------------------------------------------- FactSage results at <A> = 6.395 (MGSO4.7H2O precipitation) OLI options in effect: '2nd liquid' ---------------------------------------------------------------- [FACT Format] 55.508 H2O + 10 CH4O + MgSO4 = 0.00000 mol ( 0.11351 CH4O_METHANOLVAP + 0.26532E-01 H2OVAP + 0.29657E-27 H2O4S_H2SO4VAP + 0.99757E-35 O3S_SO3VAP) ( 25.00 C, 1 atm, gas_OLI, a=0.14005) + 4.8468 mol ( 0.27600 H2O_liq2 + 0.13104E-15 H2O4S_H2SO4_liq2 + 0.72400 CH4O_METHANOL_liq2 + 0.92289E-31 O3S_SO3_liq2) ( 25.00 C, 1 atm, liquid2#1) + 0.00000 mol ( 0.93310 H2O_liq2 ! + 0.42394E-17 H2O4S_H2SO4_liq2 ! + 0.66903E-01 CH4O_METHANOL_liq2 ! + 0.11819E-31 O3S_SO3_liq2 !) ( 25.00 C, 1 atm, liquid2#2, a=0.88457) + 0.97590 mol ( 55.508 H2O + 6.6512 CH4O_METHANOLAQ + 0.11689 MgO4S_MGSO4AQ + 6.4361 O4S[-2]_SO4ION + 6.4361 Mg[+2]_MGION + 0.13227E-05 HO4S[-1]_HSO4ION + 0.14632E-05 HMgO[+1]_MGOHION + 0.28776E-06 H[+1]_HION + 0.14719E-06 HO[-1]_OHION + 0.38851E-23 H2O4S_H2SO4AQ + 0.60339E-27 O3S_SO3AQ) ( 25.00 C, 1 atm, aqu_OLI) + 0.00000 mol H14MgO11S_MGSO4.7H2O ( 25.00 C, 1 atm, S1, a= 1.0000) + 0.00000 mol H2MgO2_MGOH2PPT ( 25.00 C, 1 atm, S1, a=0.27217E-04) where "A" on the reactant side is 6.395 4 product species identified with "!" have been suppressed (dormant) Data on the following OLI constituents are not valid below the given lower or above the given upper temperature limit/K and have not been extrapolated: H2MgO5S_MGSO4.1H2 342.15 H12MgO10S_MGSO4.6 323.14 **************************************************************** H G V S Cp (J) (J) (l) (J/K) (J/K) **************************************************************** -2.69328E+07 -2.84495E+07 -1.17067E+02 5.08684E+03 9.52426E+02 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ChemSage Format] T = 25.00 C P = 1.00000E+00 atm V =-1.17067E+02 dm3 STREAM CONSTITUENTS AMOUNT/mol H2OVAP/gas_OLI/ 5.5508E+01 CH4O_METHANOLVAP/gas_OLI/ 1.0000E+01 *MgO4S_MGSO4AQ(aq) 6.3951E+00 EQUIL AMOUNT MOLE FRACTION FUGACITY PHASE: gas_OLI mol atm CH4O_METHANOLVAP 0.0000E+00 8.1055E-01 1.0920E-01 H2OVAP 0.0000E+00 1.8945E-01 2.5822E-02 H2O4S_H2SO4VAP 0.0000E+00 2.1177E-27 2.5445E-28 O3S_SO3VAP 0.0000E+00 7.1232E-35 9.3042E-36 TOTAL: 0.0000E+00 1.0000E+00 1.4005E-01 PHASE: liquid2#1 mol MOLE FRACTION ACTIVITY H2O_liq2 1.3377E+00 2.7600E-01 2.6164E-02 H2O4S_H2SO4_liq2 6.3512E-16 1.3104E-16 2.5782E-28 CH4O_METHANOL_liq2 3.5091E+00 7.2400E-01 1.1065E-01 O3S_SO3_liq2 4.4731E-31 9.2289E-32 9.4275E-36 TOTAL: 4.8468E+00 1.0000E+00 1.0000E+00 PHASE: liquid2#2 mol MOLE FRACTION ACTIVITY H2O_liq2 ! 0.0000E+00 9.3310E-01 2.6164E-02 H2O4S_H2SO4_liq2 ! 0.0000E+00 4.2394E-18 2.5782E-28 CH4O_METHANOL_liq2 ! 0.0000E+00 6.6903E-02 1.1065E-01 O3S_SO3_liq2 ! 0.0000E+00 1.1819E-32 9.4275E-36 TOTAL: 0.0000E+00 1.0000E+00 8.8457E-01 PHASE: aqu_OLI mol MOLALITY ACTIVITY H2O 5.4170E+01 5.5508E+01 8.3344E-01 H2O4S_H2SO4AQ 3.7915E-24 3.8851E-24 9.9545E-23 CH4O_METHANOLAQ 6.4909E+00 6.6512E+00 2.6557E+01 O3S_SO3AQ 5.8885E-28 6.0339E-28 1.5460E-26 MgO4S_MGSO4AQ 1.1407E-01 1.1689E-01 2.9949E+00 HO[-1]_OHION 1.4365E-07 1.4719E-07 3.7188E-08 HO4S[-1]_HSO4ION 1.2908E-06 1.3227E-06 1.1252E-05 Mg[+2]_MGION 6.2810E+00 6.4362E+00 8.6868E-02 HMgO[+1]_MGOHION 1.4280E-06 1.4632E-06 5.2778E-07 H[+1]_HION 2.8082E-07 2.8776E-07 2.2750E-07 O4S[-2]_SO4ION 6.2810E+00 6.4362E+00 5.2041E-01 TOTAL: 7.3337E+01 1.0000E+00 mol ACTIVITY H14MgO11S_MGSO4.7H2O(s) 0.0000E+00 1.0000E+00 H2MgO2_MGOH2PPT(s) 0.0000E+00 2.7217E-05 ******************************************************************** Cp_EQUIL H_EQUIL S_EQUIL G_EQUIL V_EQUIL J.K-1 J J.K-1 J dm3 ******************************************************************** 9.52426E+02 -2.69328E+07 5.08684E+03 -2.84495E+07 -1.17067E+02 Properties for aqu_OLI: pH = 6.6430 Total solute molality = 19.6404 Ionic strength = 25.7447 Osmotic coefficient = 0.5149 Debye-Hueckel slope = 0.3915 Density/mol.dm-3 =223.6761 Absolute viscosity/cP = 51.9472 Diffusivities/m2.sec-1: H2O 1.1867E-16 H2O4S_H2SO4AQ 3.9586E-16 CH4O_METHANOLA 2.1222E-17 O3S_SO3AQ 1.6816E-17 MgO4S_MGSO4AQ 1.8896E-16 HO[-1]_OHION 1.2841E-16 HO4S[-1]_HSO4I 3.8304E-16 Mg[+2]_MGION 1.0053E-19 HMgO[+1]_MGOHI 2.1648E-17 H[+1]_HION 4.8350E-17 O4S[-2]_SO4ION 3.0067E-16 Mole fraction of system components: gas_OLI liquid2#1 liquid2#2 aqu_OLI H(+1) 2.7478E-01 3.5567E-01 6.5111E-01 5.2244E-01 MG(+2) 0.0000E+00 0.0000E+00 0.0000E+00 3.0839E-02 O(-2) 1.3739E-01 1.7783E-01 3.2555E-01 3.8458E-01 S(+6) 1.5358E-27 8.4432E-17 1.4791E-18 3.0839E-02 METHANOL 5.8782E-01 4.6650E-01 2.3342E-02 3.1301E-02 4 constituents marked with '!' are dormant Data on the following OLI constituents are not valid below the given lower or above the given upper temperature limit/K and have not been extrapolated: H2MgO5S_MGSO4.1H2 342.15 H12MgO10S_MGSO4.6 323.14 ---------------------------------------------------------------- FactSage results at <A> = 7.0 (final composition). OLI options in effect: '2nd liquid' ---------------------------------------------------------------- [FACT Format] 55.508 H2O + 10 CH4O + MgSO4 = 0.00000 mol ( 0.11351 CH4O_METHANOLVAP + 0.26532E-01 H2OVAP + 0.29657E-27 H2O4S_H2SO4VAP + 0.99757E-35 O3S_SO3VAP) ( 25.00 C, 1 atm, gas_OLI, a=0.14005) + 10.324 mol ( 0.27600 H2O_liq2 + 0.13104E-15 H2O4S_H2SO4_liq2 + 0.72400 CH4O_METHANOL_liq2 + 0.92289E-31 O3S_SO3_liq2) ( 25.00 C, 1 atm, liquid2#1) + 0.00000 mol ( 0.93310 H2O_liq2 ! + 0.42394E-17 H2O4S_H2SO4_liq2 ! + 0.66903E-01 CH4O_METHANOL_liq2 ! + 0.11819E-31 O3S_SO3_liq2 !) ( 25.00 C, 1 atm, liquid2#2, a=0.88457) + 0.37964 mol ( 55.508 H2O + 6.6512 CH4O_METHANOLAQ + 0.11689 MgO4S_MGSO4AQ + 6.4361 O4S[-2]_SO4ION + 6.4361 Mg[+2]_MGION + 0.13227E-05 HO4S[-1]_HSO4ION + 0.14632E-05 HMgO[+1]_MGOHION + 0.28776E-06 H[+1]_HION + 0.14719E-06 HO[-1]_OHION + 0.38851E-23 H2O4S_H2SO4AQ + 0.60339E-27 O3S_SO3AQ) ( 25.00 C, 1 atm, aqu_OLI) + 4.5122 mol H14MgO11S_MGSO4.7H2O ( 25.00 C, 1 atm, S1, a= 1.0000) + 0.00000 mol H2MgO2_MGOH2PPT ( 25.00 C, 1 atm, S1, a=0.27217E-04) where "A" on the reactant side is 7.000 4 product species identified with "!" have been suppressed (dormant) Data on the following OLI constituents are not valid below the given lower or above the given upper temperature limit/K and have not been extrapolated: H2MgO5S_MGSO4.1H2 342.15 H12MgO10S_MGSO4.6 323.14 **************************************************************** H G V S Cp (J) (J) (l) (J/K) (J/K) **************************************************************** -2.78878E+07 -2.92647E+07 -2.51014E+02 4.61814E+03 1.41654E+03 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ChemSage Format] T = 25.00 C P = 1.00000E+00 atm V =-2.51014E+02 dm3 STREAM CONSTITUENTS AMOUNT/mol H2OVAP/gas_OLI/ 5.5508E+01 CH4O_METHANOLVAP/gas_OLI/ 1.0000E+01 *MgO4S_MGSO4AQ(aq) 7.0000E+00 EQUIL AMOUNT MOLE FRACTION FUGACITY PHASE: gas_OLI mol atm CH4O_METHANOLVAP 0.0000E+00 8.1055E-01 1.0920E-01 H2OVAP 0.0000E+00 1.8945E-01 2.5822E-02 H2O4S_H2SO4VAP 0.0000E+00 2.1177E-27 2.5445E-28 O3S_SO3VAP 0.0000E+00 7.1232E-35 9.3042E-36 TOTAL: 0.0000E+00 1.0000E+00 1.4005E-01 PHASE: liquid2#1 mol MOLE FRACTION ACTIVITY H2O_liq2 2.8495E+00 2.7600E-01 2.6164E-02 H2O4S_H2SO4_liq2 1.3529E-15 1.3104E-16 2.5782E-28 CH4O_METHANOL_liq2 7.4750E+00 7.2400E-01 1.1065E-01 O3S_SO3_liq2 9.5284E-31 9.2289E-32 9.4275E-36 TOTAL: 1.0324E+01 1.0000E+00 1.0000E+00 PHASE: liquid2#2 mol MOLE FRACTION ACTIVITY H2O_liq2 ! 0.0000E+00 9.3310E-01 2.6164E-02 H2O4S_H2SO4_liq2 ! 0.0000E+00 4.2394E-18 2.5782E-28 CH4O_METHANOL_liq2 ! 0.0000E+00 6.6903E-02 1.1065E-01 O3S_SO3_liq2 ! 0.0000E+00 1.1819E-32 9.4275E-36 TOTAL: 0.0000E+00 1.0000E+00 8.8457E-01 PHASE: aqu_OLI mol MOLALITY ACTIVITY H2O 2.1073E+01 5.5508E+01 8.3344E-01 H2O4S_H2SO4AQ 1.4749E-24 3.8851E-24 9.9545E-23 CH4O_METHANOLAQ 2.5250E+00 6.6512E+00 2.6557E+01 O3S_SO3AQ 2.2907E-28 6.0339E-28 1.5460E-26 MgO4S_MGSO4AQ 4.4374E-02 1.1689E-01 2.9949E+00 HO[-1]_OHION 5.5880E-08 1.4719E-07 3.7188E-08 HO4S[-1]_HSO4ION 5.0213E-07 1.3227E-06 1.1252E-05 Mg[+2]_MGION 2.4434E+00 6.4362E+00 8.6868E-02 HMgO[+1]_MGOHION 5.5550E-07 1.4632E-06 5.2778E-07 H[+1]_HION 1.0924E-07 2.8776E-07 2.2750E-07 O4S[-2]_SO4ION 2.4434E+00 6.4362E+00 5.2041E-01 TOTAL: 2.8529E+01 1.0000E+00 mol ACTIVITY H14MgO11S_MGSO4.7H2O(s) 4.5122E+00 1.0000E+00 H2MgO2_MGOH2PPT(s) 0.0000E+00 2.7217E-05 ******************************************************************** Cp_EQUIL H_EQUIL S_EQUIL G_EQUIL V_EQUIL J.K-1 J J.K-1 J dm3 ******************************************************************** 1.41654E+03 -2.78878E+07 4.61814E+03 -2.92647E+07 -2.51014E+02 Properties for aqu_OLI: pH = 6.6430 Total solute molality = 19.6404 Ionic strength = 25.7447 Osmotic coefficient = 0.5149 Debye-Hueckel slope = 0.3915 Density/mol.dm-3 =223.6761 Absolute viscosity/cP = 51.9472 Diffusivities/m2.sec-1: H2O 1.1867E-16 H2O4S_H2SO4AQ 3.9586E-16 CH4O_METHANOLA 2.1222E-17 O3S_SO3AQ 1.6816E-17 MgO4S_MGSO4AQ 1.8896E-16 HO[-1]_OHION 1.2841E-16 HO4S[-1]_HSO4I 3.8304E-16 Mg[+2]_MGION 1.0054E-19 HMgO[+1]_MGOHI 2.1648E-17 H[+1]_HION 4.8350E-17 O4S[-2]_SO4ION 3.0067E-16 Mole fraction of system components: gas_OLI liquid2#1 liquid2#2 aqu_OLI H(+1) 2.7478E-01 3.5567E-01 6.5111E-01 5.2244E-01 MG(+2) 0.0000E+00 0.0000E+00 0.0000E+00 3.0839E-02 O(-2) 1.3739E-01 1.7783E-01 3.2555E-01 3.8458E-01 S(+6) 1.5358E-27 8.4432E-17 1.4791E-18 3.0839E-02 METHANOL 5.8782E-01 4.6650E-01 2.3342E-02 3.1301E-02 4 constituents marked with '!' are dormant Data on the following OLI constituents are not valid below the given lower or above the given upper temperature limit/K and have not been extrapolated: H2MgO5S_MGSO4.1H2 342.15 H12MgO10S_MGSO4.6 323.14 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~