HIGH PRESSURE PHASE EQUILIBRIUM: PREDICTION OF ESSENTIAL OIL SOLUBILITY

CARDOZO-FILHO, Lúcio; WOLFF, Fred; MEIRELES, M. Angela A.

doi:10.1590/S0101-20611997000400027

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Food Science and Technology

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• Food Sci. Technol 17 (4) • Dec 1997 • https://doi.org/10.1590/S0101-20611997000400027 copy

HIGH PRESSURE PHASE EQUILIBRIUM: PREDICTION OF ESSENTIAL OIL SOLUBILITY

Authorship SCIMAGO INSTITUTIONS RANKINGS

This work describes a method to predict the solubility of essential oils in supercritical carbon dioxide. The method is based on the formulation proposed in 1979 by Asselineau, Bogdanic and Vidal. The Peng-Robinson and Soave-Redlich-Kwong cubic equations of state were used with the van der Waals mixing rules with two interaction parameters. Method validation was accomplished calculating orange essential oil solubility in pressurized carbon dioxide. The solubility of orange essential oil in carbon dioxide calculated at 308.15 K for pressures of 50 to 70 bar varied from 1.7± 0.1 to 3.6± 0.1 mg/g. For same the range of conditions, experimental solubility varied from 1.7± 0.1 to 3.6± 0.1 mg/g. Predicted values were not very sensitive to initial oil composition.

Essential oil; phase equilibria; supercritical extraction; Peng-Robinson; Soave-Redlich-Kwong

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Component mass balance	; I = 1,...,n_c-1 ; i = n_c
Equilibrium relationship	; i = 1,¼ ,n_c
Restriction
Global mass balance
Specified equations

Component		T_eb(K)	T_c (K)	P_c (bar)	w
Ethanol	0.0886	351.65^a	513.92^d	61.48^d	0.6452^d
Linalool	0.00586	472.15^a	635.99^e	25.82^b	0.7617^f
a-Terpineol	0.00055	493.15^a	675.59^e	29.50^b	0.7133^f
trans-2,Hexenal	0.00012	419.65^a	615.15^e	35.94^b	0.4199^f
Octanal	0.00361	444.15^a	620.10^e	27.35^b	0.5558^f
Nonanal	0.00053	464.15^a	637.67^e	24.80^b	0.6053^f
Decanal	0.00287	481.65^a	651.94^e	22.59^b	0.6536^f
Dodecanal	0.00027	484.94^b	675.98^b	18.97^b	0.7585^*
Citronelal	0.00050	480.65^a	663.86^e	24.05^b	0.5570^f
Neral	0.00051	502.15^c	699.97	25.25^b	0.7174^*
Geranial	0.00125	502.15^a	699.97^e	25.25^b	0.7174^*
b-Simensel	0.00012	592.58^b	782.72^b	17.64^b	0.6853^f
a-Simensel	0.00015	600.06^b	794.25^b	17.79^b	0.6749^f
Ethyl butyrate	0.00100	369.15^a	571.00^d	30.60^b	0.4190^d
a-Pinene	0.00421	429.35^a	630.87^e	28.90^b	0.3242^f
D-3-Carene	0.00102	440.15^b	646.74^b	28.90^b	0.3242^f
b-Mircene	0.01620	440.15^a	642.32^e	28.08^b	0.3425^f
Valencene	0.00342	564.52^b	780.55^b	18.97^b	0.4324^f
d-Limonene	0.94895	451.15^a	661.11^e	27.56^b	0.3170^f

Component		T_eb (K)	T_c (K)	Pc (bar)	w
Linalool	0.00727	472.15^a	635.99^e	25.82^b	0.7617^f
a-Pinene	0.00610	429.35^a	630.87^e	28.90^b	0.3242^f
b-Mircene²	0.00726	440.15^a	642.32^e	28.08^b	0.3425^f
Sabinene	0.00177	437.15	640.12	29.35	0.3547
Limonene	0.97760	451.15^a	661.11^e	27.56^b	0.3170^f

PR SRK
k_ij x10² k"_ij x10² k_ij x10² k"_ij x10²
CO₂/Etanol	9.048	-1.414	8.543	-1.412
CO₂/Linalool	4.281	-3.156	4.363	-3.249
CO₂/a-Pinene	9.482	-2.820	10.28	-2.805
CO₂/d-Linomene	10.15	1.960	9.921	-1.415

Solubility (mg/g)¹ Solubility (mg/g)²
P bar	T K	Sb ± 0.1 (mg/g)	PR	D abs.	SRK	D abs.	PR	D abs.	SRK	D abs.
50	308.15	1.7	1.4	0.3	1.3	0.4	1.8	-0.1	1.51	0.2
60	308.15	2.8	2.2	0.6	2.0	0.8	2.6	0.2	2.1	0.8
65	308.15	3.1	2.9	0.2	2.7	0.4	3.3	-0.2	2.7	0.4
70	308.15	3.6	4.1	0.5	4.0	-0.4	4.6	-1.0	3.8	-0.2
Global deviation 0.40 0.5 0.4 0.4