Excel library for process calc's including distillation

[carlo.stenali]

dbert, I am travelling and without library access, however as a rough estimate you may consider a solubility 1-Hexanol in water of about 5-6 g/L at 25 C ...

[superandy]

Attached a file txt containing equilibrium data for the system 1-hexanol/water from hysys.

Regards
Superandy

[dbert]

thanks Superandy,
do you know if that comes from regressing Wilson parameters to experimental data or to estimated values (i.e. VLE by UNIFAC etc.) ?
I say this as I calculated Wilson parameters for 1-Hexanol/Water with UNIFAC VLE and I got parameters which seem to fit your data, but that could be a coincidence.

[superandy]

They are estimated data using UNIFAC!

To find experimental data you must try Dechema databank and you must pay for them.

Regards
Superandy

[dbert]

thanks superandy, I appreciate your help,
UNIFAC is my standard when experimental data are not available, however in this specific case I have some doubts about predicted TPXY

[cmarc]

Properties has a decent procedure for VLE/LLE data regression, it does offer the possibility to regress from UNIFAC as suggested by superandy but UNIFAC predictions can be unreliable, actually I am calculating VLE for 2-butanol water, can someone give experimantal data to compare ?

[carlo.stenali]

dbert,
1-Hexanol in water has limited miscibility, you should look for LLE instead.

cmarc, I have several data points,

VLE 2-Butanol Water 760 mmHg, third column temperature in degrees Celsius
0.009500 0.116000 92.700
0.016600 0.214000 91.000
0.021000 0.303000 89.700
0.025700 0.343000 89.500
0.034500 0.387000 88.200
0.043000 0.385000 88.000
0.046800 0.386000 87.900
0.501000 0.452000 88.700
0.519000 0.463000 88.700
0.563000 0.470000 89.000
0.607000 0.493000 89.700
0.711000 0.520000 89.800
0.816000 0.624000 92.100
0.901000 0.731000 94.200
0.960000 0.801000 95.800
0.984000 0.898000 97.700
0.996000 0.952000 98.400

see "http://www.prode.com/docs/pppman.pdf" for the data regression procedure in Properties,

[dbert]

thanks carlo.stenali,
really I need to calculate VLE but I do not know if UNIFAC works reliably in this case.

[cmarc]

thanks Carlo. I am doing some VLe calc which (perhaps) would require complex mixing rules, which options do you recommend to set in Properties ?

[carlo.stenali]

at low pressures NRTL should be Ok, my version adds Huron-Vidal & Wong-Sandler , these should be a bit better for a range of pressures

[cmarc]

thanks, by chance can you help with Benzyl Alcohol-Water VLE data ?

[carlo.stenali]

hi cmarc,
I have some water-benzyl alcohol VLE points at 760 mmHg,

first column X(1)
second column Y(1)
third column temperature in degrees Celsius
0.050000 0.840000 148.200
0.100000 0.929000 129.600
0.150000 0.956000 120.900
0.200000 0.968000 115.000
0.250000 0.976000 110.600
0.300000 0.981000 107.100
0.400000 0.986000 102.800
0.500000 0.989000 99.000

if you need frequently VLE data perhaps you may consider dechema which provides also data regression parametrs, however these parameters were limited (I don't know last versions) to some standard activity models, I have found Properties useful for VLE/LLE data regression with nonstandard models, see "http://www.prode.com" for information.