Industrial Crops and Products 33 (2011) 599–604

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Industrial Crops and Products

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Mathematical modeling for extraction of essential oil from Baccharis spp.

by steam distillation
V.B. Xavier a , R.M.F. Vargas a , E. Cassel a,∗ , A.M. Lucas a , M.A. Santos b , C.A. Mondin c ,
E.R. Santarem c , L.V. Astarita c , T. Sartor c
a
Laboratório de Operações Unitárias, Faculdade de Engenharia, Brazil
b
Faculdade de Farmácia, Brazil
c
Faculdade de Biociências, Brazil

a r t i c l e i n f o a b s t r a c t

Article history: Baccharis (Compositae–Asteraceae) is a large genus of plants distributed from the USA to Argentina, of
Received 28 July 2010 which 90% are located in South America. In recent decades, species of the genus have been studied, due to
Received in revised form 2 December 2010 their importance as sources of novel active components with possible applications in the pharmaceutical
Accepted 10 December 2010
and chemical industries. This work studied three species of Baccharis: Baccharis uncinella DC, Baccharis
Available online 15 January 2011
anomala DC and Baccharis dentata (Vell) G.M. Barroso collected in São Francisco de Paula in southern
Brazil. The aim of this work is the evaluation of the aromatic potential of the essential oil obtained by
Keywords:
steam distillation method and the simulation of the extraction data by means of a mathematical model.
Essential oil
Steam distillation
A mathematical model based on mass transfer fundamentals is developed and applied to correlate the
Mathematical model experimental data. This model is based on the existence of the broken and intact cells, in which the
Mass transfer oil located in the broken cells is rapidly extracted and the oil from intact cells diffuses slowly to the
Baccharis spp. surface of the vegetal material. The analysis of the essential oil was carried through by GC–MS and the
major compounds identified to both processes were ␣-pinene, ␤-pinene, and spathulenol (B. uncinella),
spathulenol, ␤-caryophyllene, and ␤-selinene (B. anomala), and germacrene-D, caryophyllene oxide, and
spathulenol (B. dentata).
© 2010 Elsevier B.V. All rights reserved.

1. Introduction G.M. Barroso is a shrub of the angiosperm division that occurs in

The genus Baccharis (Compositaea–Asteraceae) is a strictly
American genus with approximately 500 species distributed from
Argentina to USA (Céspedes et al., 2002). More than 90% of these
species are present in South America (Frizzo et al., 2001) and many
of them have been used in traditional medicine (Herz et al., 1977;
Budel and Duarte, 2008) due to their pharmacological properties
(Fournet et al., 1994). Some species also have applications in the
perfumery industry (Queiroga et al., 1990).
The Baccharis species here studied grow wild in southern Brazil.
Among them are B. anomala, B. uncinella, and B. dentata. Phyto-
chemical studies of Baccharis anomala DC have demonstrated the
presence of tannins and saponins and it is used in folk medicine
(Budel and Duarte, 2008). The literature has reported that the
essential oil of Baccharis uncinella DC has shown antimicrobial
activity against Staphylococcus aureus, Escherichia coli, and Pseu-
domonas aeruginosa (Ferronato et al., 2007). Baccharis dentata (Vell.)
∗ Corresponding author at: PUCRS, Av. Ipiranga 6681, CEP 90619-900, Porto Ale-
gre, RS, Brazil. Tel.: +55 51 3320 3653.
E-mail addresses: cassel@pucrs.br, edcassel@yahoo.com (E. Cassel).
the Atlantic forest mainly in wild regions of Brazil and Argentina.
In this work, the essential oil of B. anomala, B. uncinella, and B.
dentata was obtained by steam distillation extraction method. This
technique of the extraction is extensively used by the industry and
is frequently cited in the literature (Cassel and Vargas, 2006; Di Leo
Lira et al., 2009). The mathematical modeling of extraction process
must be considered as a fundamental step in the project of an effi-
cient industrial process. Mathematical models are used to simulate
processes without having to perform experiments in order to know
its extraction process behavior. Therefore, the importance of math-
ematical modeling of steam distillation process is an alternative
strategy to evaluate the selection of the process variable conditions
(Cassel et al., 2009).
Cassel and Vargas (2006) modeled the extraction of Cymbopogon
winterianus essential oil using a diffusional model at laboratorial
scale thus allowing a good prevision on industrial scale. This model
was also used to simulate the steam distillation process data for
rosemary, basil, and lavender essential oils (Cassel et al., 2009).
Additionally, Benyoussef et al. (2002) modeled the extraction of
coriander essential oil by steam distillation through two diffusional
numerical solved models. The first one has taken into consideration
only the diffusion inside the pores, while the second has added the

0926-6690/$ – see front matter © 2010 Elsevier B.V. All rights reserved.
doi:10.1016/j.indcrop.2010.12.019
600 V.B. Xavier et al. / Industrial Crops and Products 33 (2011) 599–604

2. Experiments
Nomenclature
2.1. Plant material and isolation of the essential oil
a0 specific surface area per volume, m2 /m3
H bed length [m] The essential oils were extracted using leaves and twigs of plants
J flux of solute [kg/m3 s] collected in São Francisco de Paula in the state of Rio Grande do Sul
K1 parameter defined in Eq. (16) [g/min] (Southern Brazil; latitude, 29◦ 29 S; longitude, 50◦ 11 W; altitude,
K2 parameter defined in Eq. (11) [1/min] 950 m). Voucher specimen, B. uncinella (Herbarium No. 3352), B.
kf fluid-phase mass transfer coefficient [m/s] dentata (Herbarium No. 3353), B. anomala (Herbarium No. 3354)
ks solid-phase mass transfer coefficient [m/s] have been taken in the Herbarium of the Science and Technology
M mass of extract [kg] Museum of the Pontifícia Universidade Católica do Rio Grande do
M( ∞ ) maximum value of the mass extracted [kg] Sul (Herbarium MPUC).
ṁ solvent flow rate [kg/s] The plants were collected in autumn and winter seasons and the
t time [s] experiments were conducted using the aerial part of dried plants.
u superficial fluid velocity [m/s] A 0.2 kg amount of sample was used for each extraction. The pro-
x solute mass fraction in solid-phase [kg/kg] cedure basically consists in the passage of the vapor generated in
xk easily accessible solute mass fraction in solid-phase a boiler by the bed where the plants were put on. Then, the solute
[kg/kg] was dragged and after that it was condensed by contact with a
x0 initial solute mass fraction in solid-phase [kg/kg] cold fluid. Due to the difference of density between the oil and the
Y solute mass fraction in fluid-phase [kg/kg] water, the phases separate. The following densities were obtained
Y* equilibrium fluid-phase mass fraction [kg/kg] for B. uncinella, B. anomala and B. dentata; 0.768 g/cm3 , 0.702 g/cm3 ,
z axial co-ordinate [m] 0.704 g/cm, respectively. The experiments were performed in trip-
licate. The experimental data of essential oil volume extracted
Greek Letters
through steam distillation is showed in Table 1. The essential oil
ε bed void fraction [dimensionless]
extraction was carried out in laboratory in a steam distillation
f solvent density [kg/m3 ]
equipment (Cassel et al., 2009) using average thickness leaves of
s solid density [kg/m3 ]
2.62 × 10−4 m, 7.50 × 10−5 m and 2.32 × 10−4 m for B. uncinella, B.
anomala and B. dentata, respectively.

rate of oil dissolution from the solid phase into the fluid filling of the
pores. Sovová and Aleksovski (2006) used a mathematical model
where two types of particles were taken into consideration. The
first are leaves where a part of the solute is deposited on the sur-
face in fragile glandular trichomes, and the second are the ground
particles with initially homogeneous solute distribution. The math-
ematical model is solved analytically and has two time constants
to be determined. Cerpa et al. (2008) developed a model consid-
ering three stages in the process of obtaining oil. Firstly a thermal
oil exudation from the glandular trichomes occurred, in the sec-
ond step vapor–liquid equilibrium at the interface is assumed, and
finally in the last step the mass transfer of the oil in vapor-phase is
considered. Experimental data for lavandin super oil were used to
correlate model parameters.
The aim of this study is to apply a new mass transfer mathemat-
ical model already developed to predict the essential oil extraction
process behavior in three species of Baccharis: B. uncinella, B.
anomala, and B. dentata, and evaluate their aromatic potential.
2.2. GC analysis
The composition of the essential oil was carried out by GC
on an Agilent 7890A gas chromatograph equipped with a mass
spectrometer Agilent 5975C. The capillary column was a HP-5MS
silica capillary column (30 m × 250 ␮m i.d.), coated with 5% phenyl
methyl silox (0.25 ␮m phase thickness); column temperature, 60 ◦ C
for 8 min, rising to 180 ◦ C at 3 ◦ C/min, 180–250 ◦ C at 20 ◦ C/min, then
250 ◦ C for 10 min. Injector temperature 250 ◦ C; detector tempera-
ture 280 ◦ C; injection mode, split; split ratio 1:55; volume injected,
0.2 ␮L of the oil. Carrier gas was Helium, flow rate 1 mL/min; inter-
face temperature 250 ◦ C; acquisition mass range, m/z 40–450.
The components of the oil were identified by comparison of
their linear retention indexes (LRIs) in the column, determined
in relation to a homologous series of n-alkanes, with those from
pure standards or reported in literature. Comparison of fragmenta-
tion patterns in the mass spectra with those stored in the GC–MS
databases (Adams, 2007) was also performed. The results are
shown in Table 2.

Table 1
Experimental data of average volume as time function for Baccharis spp. for crops in autumn and winter.

t (min) Volume (mL)

B. anomala B. dentata B. uncinella

Autumn Winter Autumn Winter Autumn Winter

0 0 0 0 0 0 0
5 0.025 0.021 0.025 0.021 0.125 0.085
10 0.038 0.038 0.038 0.033 0.200 0.180
15 0.078 0.065 0.053 0.043 0.300 0.260
20 0.088 0.085 0.074 0.055 0.350 0.375
25 0.113 0.103 0.076 0.070 0.375 0.450
30 0.113 0.115 0.078 0.085 0.400 0.475
35 0.113 0.121 0.078 0.100 0.425 0.475
40 – 0.121 0.078 0.105 0.425 0.475
45 – 0.121 – 0.105 0.425 –
50 – – – 0.105 0.425 –
 V.B. Xavier et al. / Industrial Crops and Products 33 (2011) 599–604 601

Table 2
GC/MS of Baccharis spp. essential oil extracted by steam distillation.

Compound LRIt LRIexp B. anomala B. dentata B. uncinella

Autumn Winter Autumn Winter Autumn Winter

2E-hexenal 846 – tr 0.33 0.95 0.23 – tr

n-Hexanol 863 – 0.22 0.21 – – – –
Cumene 924 920 – – – tr – –
␣-Thujene 924 922 – tr – – 1.14 2.19
␣-Pinene 932 930 0.19 1.08 1.82 0.59 6.62 10.05
Camphene 946 943 – tr 0.25 tr 0.29 tr
Benzaldehyde 952 948 0.44 0.10 – 0.22 – –
Thuja-2,4(10)-diene 953 955 – – 0.58 – – tr
Sabinene 969 970 0.55 0.87 2.99 tr 6.73 2.01
␤-Pinene 974 974 0.20 0.90 1.02 1.55 6.78
6-Methyl-5-hepten-2-one 981 986 0.10 tr – – – –
Myrcene 988 990 – 0.61 – 0.23 0.58 1.65
␣-Phellandrene 1002 1003 – 0.13 – – 0.12 tr
(2E,4E)-heptadienal 1005 1009 – tr – 0.12 – –
␦-3-Carene 1008 1011 – 0.89 0.28 – – 0.22
␣-Terpinene 1014 1013 0.13 tr – – 0.22 0.31
p-Cymene 1020 1020 0.38 0.24 1.24 0.16 tr 1.35
Limonene 1024 1029 0.82 3.78 1.31 1.72 0.53 12.97
1,8-Cineole 1026 1029 0.24 0.38 4.29 0.32 5.94 0.34
(Z)-␤-ocimene 1032 1039 – – – – tr 0.13
Benzene acetaldehyde 1036 1041 0.24 0.15 – 0.18 tr –
(E)-␤-Ocimene 1044 1048 – 0.66 1.61 tr tr 0.36
␥-Terpinene 1054 1058 – 0.21 0.34 – 0.47 2.27
cis-Sabinene hydrate 1065 1065 0.42 – – – tr –
cis-Linalool oxide 1067 1071 0.14 tr 0.32 0.10 – –
Terpinolene 1086 1087 0.34 0.13 – – 0.25 0.25
trans-Sabinene hydrate 1098 1096 0.48 0.27 0.95 – tr –
n-Nonanal 1100 1104 0.60 0.12 0.84 0.15 0.12 tr
1,3,8-p-Menthatriene 1108 1109 – – – tr tr –
trans-Thujone 1112 1114 – – – – 0.14 tr
trans-p-Mentha-2.8-dien- 1119 1118 0.89 tr 0.93 – 0.23 tr
1-ol
␣-Camphonelal 1122 1125 – – 0.63 – 0.83 tr
trans-Pinocarveol 1135 1136 1.50 – 9.53 0.66 – tr
cis-Verbenol 1137 1137 0.76 tr – – 1.86 tr
trans-Verbenol 1140 1142 – tr – – – –
Camphor 1141 1142 1.86 tr 2.67 tr 1.10 –
Isopulegol 1145 1145 – tr 0.44 0.10 0.22 0.19
Menthone 1148 1153 – – – – – 0.19
Citronellal 1148 1153 0.26 – – – tr 1.95
Sabina ketone 1154 1155 0.27 – 1.38 – tr –
Pinocarvone 1160 1160 0.69 tr 3.24 0.38 0.91 tr
Borneol 1165 1162 – – 1.39 – 0.10 tr
p-mentha-1,5-dien-8-ol 1166 1165 – – 1.55 – 0.42 –
Umbellulone 1167 1172 – – – – 0.10 –
Terpinen-4-ol 1174 1175 4.38 0.82 4.78 0.77 1.03 1.16
Cryptone 1183 1184 3.15 0.41 2.69 – 0.23 tr
␣-Terpineol 1186 1190 0.48 tr 2.54 0.44 0.24 0.21
Myrtenol 1194 1193 1.40 – 9.76 0.81 1.92 –
cis-Piperitol 1195 1197 – – 0.84 – 0.18 –
Safranal 1196 1197 0.25 – – – – tr
n-Decanal 1201 1206 – – – – tr tr
Verbenone 1204 1206 1.17 tr 1.85 – 0.45 –
trans-Carveol 1215 1217 1.34 – 2.03 0.19 0.52 tr
Citronellol 1223 1226 – – – – tr 0.23
cis-Carveol 1226 1229 0.68 – 1.82 – 0.11 –
Cumin aldehyde 1238 1237 0.40 – 0.80 – tr –
Carvone 1239 1242 1.71 0.10 1.86 0.10 0.47 0.26
Geraniol 1249 1254 0.35 – 1.90 tr 0.18 0.44
Geranial 1264 1269 0.69 0.14 0.98 – 0.11 0.31
Citronellyl formate 1271 1276 – – – – – tr
Bornyl acetate 1287 1285 – – – – – tr
Thymol 1289 1290 – – – – – tr
Perilla alcohol 1294 1296 – 0.13 – 0.38 tr tr
(2E,.4E)-decadienal 1315 1315 – 0.10 – tr tr –
␣-Cubebene 1345 1348 – 0.39 – 0.18 0.35 1.37
Citronellyl acetate 1350 1355 – – – – 0.17 0.13
Cyclosativene 1369 1364 – 0.24 – – 0.18 0.15
␣-Ylangene 1373 1369 – – – – 0.16 0.77
␣-Copaene 1374 1373 1.67 7.75 – 2.70 1.88 2.99
Modheph-2-ene 1382 1377 – tr 0.35 0.96 tr 0.38
␤-Bourbonene 1387 1382 0.18 0.24 0.71 – 0.26 0.23
␤-Cubebene 1387 1387 1.40 – – 1.17 0.28 –
␤-Elemene 1389 1389 2.26 8.92 – 0.71 0.15 0.29
602 V.B. Xavier et al. / Industrial Crops and Products 33 (2011) 599–604

Table 2 (Continued)

Compound LRIt LRIexp B. anomala B. dentata B. uncinella

Autumn Winter Autumn Winter Autumn Winter

iso-Longifolene 1389 1389 – 1.45 – – – tr

␣-Gurjunene 1409 1407 – 0.11 – – 0.45 1.23
2-Epi-␤-funebrene 1411 1410 – 0.26 – – – –
␤-Caryophyllene 1417 1416 2.77 7.73 2.09 15.26 3.31 9.51
␤-Copaene 1430 1425 0.16 0.31 – 0.42 0.25 0.25
␣-trans-Bergamotene 1432 1432 0.42 1.48 – – – 0.10
Aromandrene 1439 1436 – – – – 0.27 1.57
␣-Himachalene 1449 1445 – – 0.36 – 0.20 0.19
trans-Muurola-3,5-diene 1451 1448 – – – 0.09 0.33 0.29
␣-Humulene 1452 1450 1.15 2.27 – 2.21 0.92 1.30
e-␤-Farnesene 1454 1456 – 0.41 – 0.44 – –
allo-Aromandrene 1458 1458 – 0.13 – – 0.68 0.91
trans-cadina-1(6),4-diene 1475 1471 0.64 – 1.59 0.11 1.10 0.51
␥-Muurolene 1478 1475 1.71 1.01 – 0.59 0.73 0.83
Germacrene D 1484 1482 6.16 11.79 0.85 14.87 0.94 6.53
␤-Selinene 1489 1485 0.25 4.12 – 3.23 0.51 0.57
trans-Muurola-4(14),5- 1493 1488 – 0.29 – 0.35 – 0.51
diene
Bicyclogermacrene 1500 1495 2.84 7.84 0.48 6.87 2.51 7.69
␣-Muurolene 1500 1497 0.59 1.66 – 0.73 1.00 1.05
trans-␤-Guaiene 1502 1504 0.67 5.74 – – 0.20 0.12
Germacrene A 1508 1507 0.81 0.29 – 1.80 0.20 0.22
␦-Amorphene 1511 1509 – 0.25 – – – 0.21
␥-Cadinene 1513 1511 0.45 0.62 – 0.37 0.89 0.98
␦-Cadinene 1522 1520 1.86 3.54 0.46 4.03 3.21 3.55
trans-Cadina-1.4-diene 1533 1529 – 0.10 – – 0.34 0.15
␣-Cadinene 1537 1534 – tr – – 0.28 0.17
␣-Calacorene 1544 1539 0.56 0.54 0.48 0.46 1.70 0.42
Hedycariol 1546 1548 1.28 – 0.49 0.66 0.86 0.19
Germacrene B 1559 1554 – 2.02 – 0.21 – –
␤-Calacorene 1564 1559 0.31 tr – – 0.70 tr
Palustrol 1567 1563 0.36 0.15 – – 0.19 0.11
Spathulenol 1577 1574 14.49 5.20 6.84 10.67 16.41 2.48
Caryophyllene oxide 1582 1584 8.86 2.24 7.69 10.45 1.48
Globulol 1590 1584 1.64 1.07 – – – 0.16
1-Epi-cubenol 1627 1622 1.04 0.81 0.66 0.49 0.54 tr
Caryophylla-4(12),8(13)- 1639 1634 1.11 0.22 – – 0.23 0.17
dien-5-␣-ol
Epi-␣-murrolol 1640 1635 0.38 0.48 – 0.84 0.43 –
Cubenol 1645 1640 – – 0.77 – 0.99 0.35
␤-Eudesmol 1649 1644 0.54 – – – 0.30 tr
␣-Cadinol 1652 1647 3.67 0.99 1.30 1.07 0.67 0.33
␣-Eudesmol 1652 1657 – – – 1.62 0.23 –
trans-Calamenen-10-ol 1668 1663 1.64 0.14 – – 0.28 –
Cadalene 1675 1670 2.00 0.29 – – 0.77 tr
Mustakone 1676 1670 – – – – 0.40 –
Geermacra-4(15),5,10(14)- 1685 1680 1.51 0.13 – 0.19 0.37 tr
trien-1-␣-ol
Epi-nootkatol 1699 1694 0.40 0.18 – – 0.24 –
Total identified 93.52 96.85 98.22 93.58 85.16 97.65

tr – <0.1%.
Linear retention indexes (LRIs), relative to C9–C20 n-alkanes on DB-5MS capillary column (Adams, 2007).

3. Mathematical modeling ∂x
−s (1 − ε) = J(x, Y ) (2)
∂t
New model for steam distillation extraction based on the con- Y (z = 0, t) = 0 (3)
cept of broken and intact cells was developed to fit experimental
data and simulate two extraction periods. The first period was Y (z, t = 0) = 0 (4)
governed by phase-equilibrium and the second period by internal x(t = 0) = x0 (5)
diffusion in the particles. The mathematical model was formulated
based on the discussion provided by Sovová (2005). Basically, the where f is solvent density, s is solid density, ε is bed void fraction,
two periods described the extraction curve based on mass balance u is superficial fluid velocity, Y is mass fraction in fluid-phase, x
of the solute. The solute is the extracted oil. The oil is considered is mass fraction in solid phase, J is flux of solute, t is extraction
a single component in terms of mass balance. The mass transfer time, z is axial co-ordinate and x0 is initial mass fraction of solute
properties of oil recovered were considered the same throughout in solid-phase.
the process. Mass balance per unit volume extraction bed consists The flux
of an equation for the solute in fluid and solid-phase
J(x, Y ) = kf a0 f (Y ∗ − Y ) for x > xk (6)

and
∂Y ∂Y
f ε + f u = J(x, Y ) (1)
∂t ∂z J(x, Y ) = ks a0 s x for x ≤ xk (7)
 V.B. Xavier et al. / Industrial Crops and Products 33 (2011) 599–604 603

Table 3
Maximum yield for extraction of essential oil by steam distillation in autumn and winter.

B. anomala B. dentata B. uncinella

Autumn Winter Autumn Winter Autumn Winter

Maximum yield % (w/w) 0.039 0.042 0.027 0.037 0.163 0.182

where kf is fluid-phase mass transfer coefficient, ks is solid-phase 0.09

mass transfer coefficient, a0 is specific surface area per unit volume 0.08

extracted mass (g)

of extraction bed, Y* is equilibrium fluid-phase mass fraction and 0.07
xk is easily accessible solute in solid-phase. 0.06
The first part of the extraction curve is associated to the extrac- 0.05
tion of the free solute from broken cells. In this extraction step 0.04
the hypothetical case with negligible external mass transfer resis- 0.03
tance, were the fluid phase is in equilibrium with the solid phase 0.02
throughout the extractor. Then from Eq. (6) the following result is 0.01
obtained: 0
Y = Y∗ for x > xk (8) 0 10 20 30 40 50
time (min)
The second period is controlled by the solute diffusion from
inner cells of the vegetal structure, and Eq. (7) represents the flux Fig. 1. Steam distillation extraction curves for B. anomala: (–) mathematical model
and experimental data ( – autumn;  - winter).
of the solute. This period correspond to the diffusion from intact
cells. Combining Eqs. (7) and (2):
∂x where
−s (1 − ε) = ks a0 s x (9)
∂t K1 = ṁY ∗ (16)
The solution for Eq. (9) is
and K2 is defined by Eq. (11).
x = x0 e−K2 t (10) This way the extraction curve is linear in function of the time
where for the first step in the extraction and exponential for the second
period.
ks a0
K2 = (11)
(1 − ε)
4. Results and discussion
Then for the fluid-phase equation (1) is re-written as
∂Y ∂Y The essential oil mass quantity was calculated using the exper-
f ε + f u = K2 s (1 − ε)x0 e−K2 t (12)
∂t ∂z imental density data and the values for experimental volumes are
where u is the superficial fluid velocity, and whose solution for in Table 1, and are expressed in terms of the maximum oil yield for
t > z/u is the species studied as showed in Table 3. These results are relative
to total dry mass used in the extraction.
(1 − ε) s zε
Y (z, t) = x0 {e−K2 (t− u ) − e−K2 t } for x ≤ xk (13) The estimated parameters by minimization of the sum of square
ε f of errors between the experimental data and the prediction data
To evaluate the extraction curve is calculated se following quan- from mathematical model are presented in Table 4.
tity: The comparison among the experimental data and the results
 t
of the mathematical model of steam distillation extraction yield
M(t) = ṁY (z = H, t)dt (14) with time for B. anomala, B. dentata, and B. uncinella are shown
0 in Figs. 1–3, respectively. The analysis of the results showed in
Figs. 1–3 indicated that the mathematical model, based on mass
where M(t) is the mass of extract, ṁ is solvent flow rate and H is
transfer fundamentals, fitted very well the experimental data. The
extraction bed length. It is possible to evaluate the extraction curve
model is based on material balance in the two phases present
using Eq. (14) and the results presented in Eqs. (8) and (13) asso-
in the extraction process. The hypothesis shown in the develop-
ciated to the period of free-solute extraction and the inner solute
ment of the mathematical model is more coherent with the reality
cells extraction, respectively. These results are expressed in terms
observed, while the mathematical model (Cassel et al., 2009) based
of the maximum value for the extract obtained in each extraction,
on mass balance in a single particle is more restrictive to describe
M( ∞ ), for the two periods in the extraction, as presented below:
the steam distillation process used to obtain essential oils. The
⎧ K t
⎨ 1 for the first period discussion presented during the mathematical development per-
M(t) M(∞) mit affirms that the parameters K1 and K2 are associated with the
= (15)
M(∞) ⎩ and equilibrium-phase and mass transfer coefficient, respectively, as
(1 − e−K2 t ) for the second period Eqs. (11) and (16).

Table 4
Parameters used in the simulation for essential oil extracted by steam distillation.

Parameter B. anomala B. dentata B. uncinella

Autumn Winter Autumn Winter Autumn Winter

K1 (g/min) 0.0033 0.0029 0.0026 0.0020 0.0156 0.0139

K2 (min−1 ) 0.1169 0.1031 0.1231 0.0870 0.0989 0.1149
604 V.B. Xavier et al. / Industrial Crops and Products 33 (2011) 599–604

0.08 process. The main practical advantage of the model is its ability
to simulate extraction curves and identify them by means of the
extracted mass (g)

0.07
0.06 determination of the parameters as mass transfer coefficient and
equilibrium constant. Three essential oils for Baccharis spp. were
0.05
evaluated in winter and autumn and the results demonstrated a
0.04
small difference regarding to yielding. However, it is possible to
0.03 observe a significant composition variation in the different seasons.
0.02
0.01 Acknowledgements
0
0 10 20 30 40 50 60 The authors thank CNPq and PUCRS.
time (min)
References
Fig. 2. Steam distillation extraction curves for B. dentata: (–) mathematical model
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