This example:
In the [Reactants Window] there are 2 reactants (Inflows):
55.508 H2O + 10 NH4Cl =OLI options in effect: - none -
In the [Menu Window] the product T(C) is given the range 0 to 200 C, the product P is 1 atm, and the option 'Equilibrium Transitions' is selected. That is, in addition to calculating the equilibrium at both 0 and 200 C, Equilib will also calculate all phase transitions within this temperature range.
All data are taken from OLIP (Public.ddb) - the OLI Systems public databank. For this example to work both FactSage and the OLI StreamAnalyser must be installed on the PC, and the OLIP (Public.ddb) databank must included in the list of databases.
The following shows the 6 pages of results - FACT (top) and ChemSage (bottom) formats
--------------------------------------------------------------
[Initial temperature - aqueous phase and NH4Cl(s) precipitate]
--------------------------------------------------------------
Page 1 [0 C]
55.508 H2O + 10 NH4Cl =
0.00000 mol ( 0.51190E-02 H2OVAP
+ 0.54534E-07 H3N_NH3VAP
+ 0.31922E-11 ClH_HCLVAP)
( 0.00 C, 1 atm, gas_OLI, a=0.51190E-02)
+ 1.0000 mol ( 55.508 H2O
+ 5.4232 Cl[-1]_CLION
+ 5.4232 H4N[+1]_NH4ION
+ 0.66352E-05 H[+1]_HION
+ 0.66352E-05 H3N_NH3AQ
+ 0.52489E-10 HO[-1]_OHION
+ 0.36527E-11 ClH_HCLAQ)
( 0.00 C, 1 atm, aqu_OLI)
+ 4.5768 mol ClH4N_NH4CLPPT
( 0.00 C, 1 atm, S1, a= 1.0000)
****************************************************************
H G V S Cp
(J) (J) (l) (J/K) (J/K)
****************************************************************
-1.88898E+07 -2.03622E+07 2.33089E+00 5.39044E+03 -6.40907E+03
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
T = 0.00 C
P = 1.00000E+00 atm
V = 2.33089E+00 dm3
STREAM CONSTITUENTS AMOUNT/mol
H2O/aqu_OLI/ 5.5508E+01
ClH4N_NH4CLPPT(s) 1.0000E+01
EQUIL AMOUNT MOLE FRACTION FUGACITY
PHASE: gas_OLI mol atm
H2OVAP 0.0000E+00 9.9999E-01 4.9584E-03
H3N_NH3VAP 0.0000E+00 1.0653E-05 5.3015E-08
ClH_HCLVAP 0.0000E+00 6.2360E-10 3.1364E-12
TOTAL: 0.0000E+00 1.0000E+00 5.1190E-03
PHASE: aqu_OLI mol MOLALITY ACTIVITY
H2O 5.5508E+01 5.5508E+01 8.2756E-01
ClH_HCLAQ 3.6527E-12 3.6527E-12 7.0085E-12
H3N_NH3AQ 6.6352E-06 6.6352E-06 1.2731E-05
HO[-1]_OHION 5.2489E-11 5.2489E-11 4.8105E-11
H[+1]_HION 6.6352E-06 6.6353E-06 2.0696E-05
H4N[+1]_NH4ION 5.4232E+00 5.4232E+00 3.0836E+00
Cl[-1]_CLION 5.4232E+00 5.4232E+00 3.0836E+00
TOTAL: 6.6354E+01 1.0000E+00
mol ACTIVITY
ClH4N_NH4CLPPT(s) 4.5768E+00 1.0000E+00
********************************************************************
Cp_EQUIL H_EQUIL S_EQUIL G_EQUIL V_EQUIL
J.K-1 J J.K-1 J dm3
********************************************************************
-6.40907E+03 -1.88898E+07 5.39044E+03 -2.03622E+07 2.33089E+00
Properties for aqu_OLI:
pH = 4.6841
Total solute molality = 10.8465
Ionic strength = 5.4232
Osmotic coefficient = 0.9686
Debye-Hueckel slope = 0.3767
Density/mol.dm-3 = 55.6869
Absolute viscosity/cP = 1.5467
Diffusivities/m2.sec-1:
H2O 1.0538E-09 ClH_HCLAQ 9.5218E-10 H3N_NH3AQ 8.7911E-10
HO[-1]_OHION 2.1721E-09 H[+1]_HION 4.3933E-09 H4N[+1]_NH4ION 8.8149E-10
Cl[-1]_CLION 9.0135E-10
Mole fraction of system components:
gas_OLI aqu_OLI
H(+1) 6.6667E-01 6.6667E-01
N(-3) 3.5510E-06 2.7244E-02
O(-2) 3.3333E-01 2.7885E-01
CL(-1) 2.0787E-10 2.7244E-02
System density/g.cm-3 = 0.658509
----------------------------------------------------------
NH4Cl(s) is fully dissolved - no more NH4Cl(s) precipitate
----------------------------------------------------------
Page 2 [55.28 C]
55.508 H2O + 10 NH4Cl =
0.00000 mol ( 0.10933 H2OVAP
+ 0.65548E-05 H3N_NH3VAP
+ 0.12962E-07 ClH_HCLVAP)
( 55.28 C, 1 atm, gas_OLI, a=0.10934)
+ 1.0000 mol ( 55.508 H2O
+ 10.000 Cl[-1]_CLION
+ 10.000 H4N[+1]_NH4ION
+ 0.33477E-04 H[+1]_HION
+ 0.33478E-04 H3N_NH3AQ
+ 0.14185E-08 ClH_HCLAQ
+ 0.19856E-09 HO[-1]_OHION)
( 55.28 C, 1 atm, aqu_OLI)
+ 0.00000 mol ClH4N_NH4CLPPT
( 55.28 C, 1 atm, S1, a= 1.0000)
****************************************************************
H G V S Cp
(J) (J) (l) (J/K) (J/K)
****************************************************************
-1.87484E+07 -2.06647E+07 1.25009E+00 5.83492E+03 3.77304E+03
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
*T = 55.28 C
P = 1.00000E+00 atm
V = 1.25009E+00 dm3
STREAM CONSTITUENTS AMOUNT/mol
H2O/aqu_OLI/ 5.5508E+01
ClH4N_NH4CLPPT(s) 1.0000E+01
EQUIL AMOUNT MOLE FRACTION FUGACITY
PHASE: gas_OLI mol atm
H2OVAP 0.0000E+00 9.9994E-01 1.0665E-01
H3N_NH3VAP 0.0000E+00 5.9950E-05 6.4118E-06
ClH_HCLVAP 0.0000E+00 1.1855E-07 1.2763E-08
TOTAL: 0.0000E+00 1.0000E+00 1.0934E-01
PHASE: aqu_OLI mol MOLALITY ACTIVITY
H2O 5.5508E+01 5.5508E+01 6.8565E-01
ClH_HCLAQ 1.4185E-09 1.4185E-09 4.7172E-09
H3N_NH3AQ 3.3478E-05 3.3478E-05 1.1133E-04
HO[-1]_OHION 1.9856E-10 1.9856E-10 2.3684E-10
H[+1]_HION 3.3477E-05 3.3477E-05 2.0996E-04
H4N[+1]_NH4ION 1.0000E+01 1.0000E+01 5.9015E+00
Cl[-1]_CLION 1.0000E+01 1.0000E+01 5.9015E+00
TOTAL: 7.5508E+01 1.0000E+00
mol ACTIVITY
ClH4N_NH4CLPPT(s) 0.0000E+00 1.0000E+00
********************************************************************
Cp_EQUIL H_EQUIL S_EQUIL G_EQUIL V_EQUIL
J.K-1 J J.K-1 J dm3
********************************************************************
3.77304E+03 -1.87484E+07 5.83492E+03 -2.06647E+07 1.25009E+00
Properties for aqu_OLI:
pH = 3.6779
Total solute molality = 20.0001
Ionic strength = 10.0000
Osmotic coefficient = 1.0474
Debye-Hueckel slope = 0.4148
Density/mol.dm-3 = 52.7866
Absolute viscosity/cP = 0.6861
Diffusivities/m2.sec-1:
H2O 4.8697E-09 ClH_HCLAQ 4.1356E-09 H3N_NH3AQ 4.8094E-09
HO[-1]_OHION 8.6924E-09 H[+1]_HION 1.3849E-08 H4N[+1]_NH4ION 3.7822E-09
Cl[-1]_CLION 3.9125E-09
Mole fraction of system components:
gas_OLI aqu_OLI
H(+1) 6.6667E-01 6.6667E-01
N(-3) 1.9983E-05 4.4145E-02
O(-2) 3.3331E-01 2.4504E-01
CL(-1) 3.9516E-08 4.4145E-02
System density/g.cm-3 = 1.22784
-----------------------------------------
Bubble point - vapor phase starts to form
-----------------------------------------
Page 3 [111.31 C]
55.508 H2O + 10 NH4Cl =
0.00000 mol ( 0.99978 H2OVAP
+ 0.21928E-03 H3N_NH3VAP
+ 0.25390E-05 ClH_HCLVAP)
(111.31 C, 1 atm, gas_OLI, a= 1.0000)
+ 1.0000 mol ( 55.508 H2O
+ 10.000 Cl[-1]_CLION
+ 9.9998 H4N[+1]_NH4ION
+ 0.19399E-03 H3N_NH3AQ
+ 0.19393E-03 H[+1]_HION
+ 0.60571E-07 ClH_HCLAQ
+ 0.92815E-09 HO[-1]_OHION)
(111.31 C, 1 atm, aqu_OLI)
+ 0.00000 mol ClH4N_NH4CLPPT
(111.31 C, 1 atm, S1, a=0.34761)
****************************************************************
H G V S Cp
(J) (J) (l) (J/K) (J/K)
****************************************************************
-1.85569E+07 -2.10083E+07 0.00000E+00 6.37626E+03 2.45241E+03
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
*T = 111.31 C
P = 1.00000E+00 atm
V = 0.00000E+00 dm3
STREAM CONSTITUENTS AMOUNT/mol
H2O/aqu_OLI/ 5.5508E+01
ClH4N_NH4CLPPT(s) 1.0000E+01
EQUIL AMOUNT MOLE FRACTION FUGACITY
PHASE: gas_OLI mol atm
H2OVAP 0.0000E+00 9.9978E-01 9.7912E-01
H3N_NH3VAP 0.0000E+00 2.1928E-04 2.1522E-04
ClH_HCLVAP 0.0000E+00 2.5390E-06 2.5028E-06
TOTAL: 0.0000E+00 1.0000E+00 1.0000E+00
PHASE: aqu_OLI mol MOLALITY ACTIVITY
H2O 5.5508E+01 5.5508E+01 6.8198E-01
ClH_HCLAQ 6.0571E-08 6.0571E-08 2.0142E-07
H3N_NH3AQ 1.9399E-04 1.9399E-04 6.4508E-04
HO[-1]_OHION 9.2815E-10 9.2816E-10 9.5324E-10
H[+1]_HION 1.9393E-04 1.9393E-04 5.8489E-04
H4N[+1]_NH4ION 9.9998E+00 9.9999E+00 5.7337E+00
Cl[-1]_CLION 1.0000E+01 1.0000E+01 5.7340E+00
TOTAL: 7.5508E+01 1.0000E+00
mol ACTIVITY
ClH4N_NH4CLPPT(s) 0.0000E+00 3.4761E-01
********************************************************************
Cp_EQUIL H_EQUIL S_EQUIL G_EQUIL V_EQUIL
J.K-1 J J.K-1 J dm3
********************************************************************
2.45241E+03 -1.85569E+07 6.37626E+03 -2.10083E+07 0.00000E+00
Properties for aqu_OLI:
pH = 3.2329
Total solute molality = 20.0003
Ionic strength = 10.0000
Osmotic coefficient = 1.0623
Debye-Hueckel slope = 0.4743
Density/mol.dm-3 = 51.3350
Absolute viscosity/cP = 0.4857
Diffusivities/m2.sec-1:
H2O 1.0072E-08 ClH_HCLAQ 8.3136E-09 H3N_NH3AQ 1.1241E-08
HO[-1]_OHION 1.5928E-08 H[+1]_HION 2.1475E-08 H4N[+1]_NH4ION 7.8929E-09
Cl[-1]_CLION 7.8991E-09
Mole fraction of system components:
gas_OLI aqu_OLI
H(+1) 6.6669E-01 6.6667E-01
N(-3) 7.3087E-05 4.4145E-02
O(-2) 3.3324E-01 2.4504E-01
CL(-1) 8.4629E-07 4.4145E-02
-----------------------------------------------------
NH4Cl(s) starts to deposit as the water is boiled off
-----------------------------------------------------
Page 4 [120.08 C]
55.508 H2O + 10 NH4Cl =
22.083 mol ( 0.99985 H2OVAP
+ 0.83832E-04 H3N_NH3VAP
+ 0.68884E-04 ClH_HCLVAP)
(120.08 C, 1 atm, gas_OLI)
+ 0.60222 mol ( 55.508 H2O
+ 16.603 Cl[-1]_CLION
+ 16.602 H4N[+1]_NH4ION
+ 0.57449E-03 H[+1]_HION
+ 0.26968E-04 H3N_NH3AQ
+ 0.59441E-06 ClH_HCLAQ
+ 0.76164E-10 HO[-1]_OHION)
(120.08 C, 1 atm, aqu_OLI)
+ 0.00000 mol ClH4N_NH4CLPPT
(120.08 C, 1 atm, S1, a= 1.0000)
****************************************************************
H G V S Cp
(J) (J) (l) (J/K) (J/K)
****************************************************************
-1.76565E+07 -2.10762E+07 7.07391E+02 8.69638E+03 1.02571E+03
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
*T = 120.08 C
P = 1.00000E+00 atm
V = 7.07391E+02 dm3
STREAM CONSTITUENTS AMOUNT/mol
H2O/aqu_OLI/ 5.5508E+01
ClH4N_NH4CLPPT(s) 1.0000E+01
EQUIL AMOUNT MOLE FRACTION FUGACITY
PHASE: gas_OLI mol atm
H2OVAP 2.2080E+01 9.9985E-01 9.7964E-01
H3N_NH3VAP 1.8513E-03 8.3832E-05 8.2312E-05
ClH_HCLVAP 1.5212E-03 6.8884E-05 6.7910E-05
TOTAL: 2.2083E+01 1.0000E+00 1.0000E+00
PHASE: aqu_OLI mol MOLALITY ACTIVITY
H2O 3.3428E+01 5.5508E+01 5.1512E-01
ClH_HCLAQ 3.5797E-07 5.9441E-07 4.3699E-06
H3N_NH3AQ 1.6241E-05 2.6968E-05 1.9826E-04
HO[-1]_OHION 4.5868E-11 7.6165E-11 1.1113E-10
H[+1]_HION 3.4597E-04 5.7450E-04 4.9940E-03
H4N[+1]_NH4ION 9.9981E+00 1.6602E+01 1.0365E+01
Cl[-1]_CLION 9.9985E+00 1.6603E+01 1.0366E+01
TOTAL: 5.3425E+01 1.0000E+00
mol ACTIVITY
ClH4N_NH4CLPPT(s) 0.0000E+00 1.0000E+00
********************************************************************
Cp_EQUIL H_EQUIL S_EQUIL G_EQUIL V_EQUIL
J.K-1 J J.K-1 J dm3
********************************************************************
1.02571E+03 -1.76565E+07 8.69638E+03 -2.10762E+07 7.07391E+02
Properties for aqu_OLI:
pH = 2.3016
Total solute molality = 33.2054
Ionic strength = 16.6027
Osmotic coefficient = 1.1089
Debye-Hueckel slope = 0.4857
Density/mol.dm-3 = 49.5898
Absolute viscosity/cP = 0.6977
Diffusivities/m2.sec-1:
H2O 1.2175E-08 ClH_HCLAQ 1.0019E-08 H3N_NH3AQ 1.3831E-08
HO[-1]_OHION 1.9003E-08 H[+1]_HION 2.5170E-08 H4N[+1]_NH4ION 9.5958E-09
Cl[-1]_CLION 9.5208E-09
Mole fraction of system components:
gas_OLI aqu_OLI
H(+1) 6.6667E-01 6.6667E-01
N(-3) 2.7944E-05 6.2382E-02
O(-2) 3.3328E-01 2.0857E-01
CL(-1) 2.2961E-05 6.2384E-02
------------------------------------
Dew point - water completely removed
------------------------------------
Page 5 [120.08 C]
55.508 H2O + 10 NH4Cl =
55.516 mol ( 0.99985 H2OVAP
+ 0.75992E-04 ClH_HCLVAP
+ 0.75992E-04 H3N_NH3VAP)
(120.08 C, 1 atm, gas_OLI)
+ 0.00000 mol ( 0.62570 H2O
+ 0.18715 Cl[-1]_CLION
+ 0.18714 H4N[+1]_NH4ION
+ 0.71440E-05 H[+1]_HION
+ 0.27557E-06 H3N_NH3AQ
+ 0.73917E-08 ClH_HCLAQ
+ 0.77826E-12 HO[-1]_OHION)
(120.08 C, 1 atm, aqu_OLI, a= 1.0000)
+ 9.9958 mol ClH4N_NH4CLPPT
(120.08 C, 1 atm, S1, a= 1.0000)
****************************************************************
H G V S Cp
(J) (J) (l) (J/K) (J/K)
****************************************************************
-1.65189E+07 -2.10762E+07 1.77836E+03 1.15892E+04 -1.07756E+02
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
*T = 120.08 C
P = 1.00000E+00 atm
V = 1.77836E+03 dm3
STREAM CONSTITUENTS AMOUNT/mol
H2O/aqu_OLI/ 5.5508E+01
ClH4N_NH4CLPPT(s) 1.0000E+01
EQUIL AMOUNT MOLE FRACTION FUGACITY
PHASE: gas_OLI mol atm
H2OVAP 5.5508E+01 9.9985E-01 9.7964E-01
ClH_HCLVAP 4.2188E-03 7.5992E-05 7.4917E-05
H3N_NH3VAP 4.2188E-03 7.5992E-05 7.4614E-05
TOTAL: 5.5516E+01 1.0000E+00 1.0000E+00
PHASE: aqu_OLI mol MOLALITY ACTIVITY
H2O 0.0000E+00 5.5508E+01 5.1511E-01
ClH_HCLAQ 0.0000E+00 6.5575E-07 4.8208E-06
H3N_NH3AQ 0.0000E+00 2.4446E-05 1.7972E-04
HO[-1]_OHION 0.0000E+00 6.9042E-11 1.0073E-10
H[+1]_HION 0.0000E+00 6.3377E-04 5.5092E-03
H4N[+1]_NH4ION 0.0000E+00 1.6602E+01 1.0365E+01
Cl[-1]_CLION 0.0000E+00 1.6603E+01 1.0367E+01
TOTAL: 0.0000E+00 1.0000E+00
mol ACTIVITY
ClH4N_NH4CLPPT(s) 9.9958E+00 1.0000E+00
********************************************************************
Cp_EQUIL H_EQUIL S_EQUIL G_EQUIL V_EQUIL
J.K-1 J J.K-1 J dm3
********************************************************************
-1.07756E+02 -1.65189E+07 1.15892E+04 -2.10762E+07 1.77836E+03
Properties for aqu_OLI:
pH = 2.2589
Total solute molality = 33.2054
Ionic strength = 16.6027
Osmotic coefficient = 1.1089
Debye-Hueckel slope = 0.4857
Mole fraction of system components:
gas_OLI aqu_OLI
H(+1) 6.6667E-01 6.6667E-01
N(-3) 2.5331E-05 6.2381E-02
O(-2) 3.3328E-01 2.0857E-01
CL(-1) 2.5331E-05 6.2384E-02
-----------------------------------------------------
Final temperature - vapour phase and NH4Cl(s) deposit
-----------------------------------------------------
Page 6 [225 C]
55.508 H2O + 10 NH4Cl =
57.409 mol ( 0.96688 H2OVAP
+ 0.16561E-01 ClH_HCLVAP
+ 0.16561E-01 H3N_NH3VAP)
(225.00 C, 1 atm, gas_OLI)
+ 0.00000 mol ( 0.39113 H2O
+ 0.30444 H4N[+1]_NH4ION
+ 0.30444 Cl[-1]_CLION
+ 0.54361E-06 H3N_NH3AQ
+ 0.72713E-08 ClH_HCLAQ
+ 0.25920E-12 HO[-1]_OHION)
(225.00 C, 1 atm, aqu_OLI, a=0.44147)
+ 9.0493 mol ClH4N_NH4CLPPT
(225.00 C, 1 atm, S1, a= 1.0000)
****************************************************************
H G V S Cp
(J) (J) (l) (J/K) (J/K)
****************************************************************
-1.64535E+07 -2.22889E+07 2.33827E+03 1.17140E+04 -1.00383E+02
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
T = 225.00 C
P = 1.00000E+00 atm
V = 2.33827E+03 dm3
STREAM CONSTITUENTS AMOUNT/mol
H2O/aqu_OLI/ 5.5508E+01
ClH4N_NH4CLPPT(s) 1.0000E+01
EQUIL AMOUNT MOLE FRACTION FUGACITY
PHASE: gas_OLI mol atm
H2OVAP 5.5508E+01 9.6688E-01 9.5073E-01
ClH_HCLVAP 9.5073E-01 1.6561E-02 1.6340E-02
H3N_NH3VAP 9.5073E-01 1.6561E-02 1.6307E-02
TOTAL: 5.7409E+01 1.0000E+00 1.0000E+00
PHASE: aqu_OLI mol MOLALITY ACTIVITY
H2O 0.0000E+00 5.5508E+01 4.2524E-02
ClH_HCLAQ 0.0000E+00 1.0319E-06 8.1886E-05
H3N_NH3AQ 0.0000E+00 7.7149E-05 6.1219E-03
HO[-1]_OHION 0.0000E+00 3.6786E-11 3.5105E-11
H[+1]_HION 0.0000E+00 NOT CALCD. 8.8448E-03
H4N[+1]_NH4ION 0.0000E+00 4.3205E+01 1.6416E+01
Cl[-1]_CLION 0.0000E+00 4.3205E+01 1.6416E+01
TOTAL: 0.0000E+00 4.4147E-01
mol ACTIVITY
ClH4N_NH4CLPPT(s) 9.0493E+00 1.0000E+00
********************************************************************
Cp_EQUIL H_EQUIL S_EQUIL G_EQUIL V_EQUIL
J.K-1 J J.K-1 J dm3
********************************************************************
-1.00383E+02 -1.64535E+07 1.17140E+04 -2.22889E+07 2.33827E+03
Properties for aqu_OLI:
pH = 2.0533
Total solute molality = 86.4107
Ionic strength = 43.2053
Osmotic coefficient = 1.5032
Debye-Hueckel slope = 0.6853
Mole fraction of system components:
gas_OLI aqu_OLI
H(+1) 6.6667E-01 6.6667E-01
N(-3) 5.5202E-03 1.0148E-01
O(-2) 3.2229E-01 1.3038E-01
CL(-1) 5.5202E-03 1.0148E-01