Thermophysical property prediction for Acylglycerols

T (°C) T (K) Fatty acid chains

Triglyceride (TG) 50 323.15 S S S

Diglyceride (DG) 115 388.15 L L

Monoglyceride (MG) 186 459.15 O

Please input the EXACT
abbreviation of each fatty acid
Please input the chain (ex. L, M, P, S, Li, Ln, etc) in
temperature T (°C). each acylglycerol compound. See
Table below as reference of
abbreviation.

Thermophysical property prediction for Oil mixture

T (°C) T (K) Fatty acid chain Abbreviation (wt %) (mol%)
100 373.15 [C4:0] Butyric Bu 0 0
[C6:0] Caproic Co 0 0
[C8:0] Caprylic Cp 0 0
[C10:0] Capric C 0 0
[C12:0] Lauric L 0 0
[C14:0] Miristic M 0 0.04
[C16:0] Palmitic P 8.2 10.57
[C16:1] Palmitoleic Po 0 0.02
[C18:0] Stearic S 6.2 4.09
[C18:1] Oleic O 52.9 22.98
[C18:2] Linoleic Li 24.7 54.51
[C18:3] Linolenic Ln 0 7.23
[C20:0] Arachidic A 4 0.33
[C20:1] Gadoleic G 0 0.18
[C22:0] Behenic B 0 0.25
[C22:1] Erucic E 0 0.1
[C24:0] Lignoceric Lg 0 0
 Density (kg/m3)
Exp. Halvorsen Error (%) Zong Error (%)
Triglyceride (TG) 883.531 #DIV/0! 885.800 #DIV/0!

Diglyceride (DG) NA NA 866.968 #DIV/0!

Monoglyceride (MG) NA NA 859.223 #DIV/0!

XACT
ach fatty acid
S, Li, Ln, etc) in
compound. See Please input the experimental Prediction method by Zong et al. is
erence of value of of each property, if any. not applicable to acylglycerols with L
(Lignoceric acid, [C24:0]) in the
composition.

Prediction based on wt% Density (kg/m3)

Exp. Halvorsen Error (%) Zong Error (%)
Simple TG Approach 860.178 #DIV/0! 867.801 #DIV/0!
Pseudo-TG Approach 862.238 #DIV/0! NA NA

Prediction based on mol% Density (kg/m3)

Exp. Halvorsen Error (%) Zong Error (%)
Simple TG Approach 864.840 #DIV/0! 877.315 #DIV/0!
Pseudo-TG Approach 861.845 #DIV/0! NA NA

Please input the composition of

each fatty acid in the oil mixture
in wt% OR mol%, and see the
results on right based on the
chosen composition.
m3) Vapor pressure (Pa)
Ihmels Error (%) Exp. Zong Error (%) Cerinai Error (%)
897.337 #DIV/0! 0.1333 0.000 100.0 0.000 100.0

884.969 #DIV/0! 0.014 #DIV/0! 0.023 #DIV/0!

866.233 #DIV/0! 20.249 #DIV/0! 21.048 #DIV/0!

on method by Zong et al. is

licable to acylglycerols with Lg
eric acid, [C24:0]) in the
ition.

m3) Vapor pressure (Pa)

Ihmels Error (%) Exp. Zong Error (%) Cerinai Error (%)
873.339 #DIV/0! 2.203E-08 #DIV/0! 1.225E-08 #DIV/0!
873.317 #DIV/0! NA NA NA NA

m3) Vapor pressure (Pa)

Ihmels Error (%) Exp. Zong Error (%) Cerinai Error (%)
878.304 #DIV/0! 2.445E-08 #DIV/0! 1.341E-08 #DIV/0!
881.310 #DIV/0! NA NA NA NA
 Heat capacity (J/g K) Heat of vaporizati
Exp. Morad Error (%) Zong Error (%) Ceriani Error (%) Exp. Ceriani
2.125 #DIV/0! 2.107 #DIV/0! 2.118 #DIV/0! 210.626

NA NA 2.428 #DIV/0! 2.156 #DIV/0! 119.926

NA NA 3.041 #DIV/0! 2.436 #DIV/0! 85.573

Heat capacity (J/g K) Heat of vaporizati

Exp. Morad Error (%) Zong Error (%) Ceriani Error (%) Exp. Ceriani
2.142 #DIV/0! 2.182 #DIV/0! 2.267 #DIV/0! 175.647
2.148 #DIV/0! 2.229 #DIV/0! 2.267 #DIV/0! 175.793

Heat capacity (J/g K) Heat of vaporizati

Exp. Morad Error (%) Zong Error (%) Ceriani Error (%) Exp. Ceriani
2.106 #DIV/0! 2.291 #DIV/0! 2.193 #DIV/0! 172.278
2.106 #DIV/0! 2.284 #DIV/0! 2.236 #DIV/0! 171.903
Heat of vaporization (kJ/mol)
Error (%) Pitzer Error (%) Basarova Error (%)
#DIV/0! 247.335 #DIV/0! 242.046 #DIV/0!

#DIV/0! 155.081 #DIV/0! 132.206 #DIV/0!

#DIV/0! 141.121 #DIV/0! 102.884 #DIV/0!

Heat of vaporization (kJ/mol)

Error (%) Pitzer Error (%) Basarova Error (%)
#DIV/0! 236.441 #DIV/0! 226.405 #DIV/0!
#DIV/0! 236.402 #DIV/0! 226.413 #DIV/0!

Heat of vaporization (kJ/mol)

Error (%) Pitzer Error (%) Basarova Error (%)
#DIV/0! 235.324 #DIV/0! 228.375 #DIV/0!
#DIV/0! 236.003 #DIV/0! 228.420 #DIV/0!
 Please input density data of
FAMEs to make unit of
viscosity as (cSt).

Prediction based on wt%

Fatty acid composition (wt%) (mol%)
Lauric [C12:0] 0.00 0.00 Density (g/cm3) Exp.
Miristic [C14:0] 0.00 0.00 0.8703
Palmitic [C16:0] 6.50 7.06
Palmitoleic [C16:1] 0.00 0.00
Stearic [C18:0] 4.90 4.82 Exp.
Oleic [C18:1] 20.50 20.31
Linoleic [C18:2] 68.00 67.82
Linolenic [C18:3] 0.00 0.00 Flash point
Arachidic [C20:0] 0.00 0.00 Exp. (K)
Gadoleic [C20:1] 0.00 0.00 T (°C)
Behenic [C22:0] 0.00 0.00 T (K)
Erucic [C22:1] 0.00 0.00
Lignoceric [C24:0] 0.00 0.00
Exp. (°C)
T (°C)
T (K)
Please input the composition of
each fatty acid in the oil mixture
in wt% OR mol%, and see the
results on right based on the Exp. (°C)
chosen composition. T (°C)
T (K)

Exp. (°C)
T (°C)
T (K)
Prediction based on wt%
Viscosity (cSt)
Allen et al. Error (%) Ceriani et al. Error (%) VT Error (%)
3.920 #DIV/0! 3.807 #DIV/0! 4.254 #DIV/0!

Cetane number
Clements Error (%) Gopinath et al. Error (%) Klopfenstein Error (%) VT
42.386 #DIV/0! 42.731 #DIV/0! 48.508 #DIV/0! 49.265

Flash point
VT Error (%)
174.999
#DIV/0!
448.149

Cloud point
Sarin et al. (PAME%) AD Sarin et al. (Unsat'd%) AD VT AD
-1.573 -2.721 -1.079
1.573 2.721 1.079
271.577 270.429 272.071

Pour point
Sarin et al. (PAME%) AD Sarin et al. (Unsat'd%) AD VT AD
-8.529 -9.807 -4.487
8.529 9.807 4.487
264.622 263.343 268.663

Cold flow plugging point

Sarin et al. (PAME%) AD Sarin et al. (Unsat'd%) AD VT AD
-4.502 -5.682 -273.150
4.502 5.682 273.150
268.649 267.469 0.000
 Prediction based on mol%
Viscosity (cSt)
Exp. Allen et al. Error (%) Ceriani et al. Error (%)
3.920 #DIV/0! 3.807 #DIV/0!

Cetane number
Error (%) Exp. Clements Error (%) Gopinath et al. Error (%)
#DIV/0! 42.391 #DIV/0! NA

Flash point
Exp. (K) VT Error (%)
T (°C) 175.043
#DIV/0!
T (K) 448.193

Cloud point
Exp. (°C) Sarin et al. (PAME%) AD Sarin et al. (Unsat'd%) AD
T (°C)
NA
T (K)

Pour point
Exp. (°C) Sarin et al. (PAME%) AD Sarin et al. (Unsat'd%) AD
T (°C)
NA
T (K)

Cold flow plugging point

Exp. (°C) Sarin et al. (PAME%) AD Sarin et al. (Unsat'd%) AD
T (°C)
NA
T (K)

Methods for low temperature

properties are only applicable
to weight fraction.
 VT Error (%)
4.254 #DIV/0!

Klopfenstein Error (%) VT Error (%)

48.509 #DIV/0! 49.270 #DIV/0!

VT AD

VT AD

VT AD