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Fluid Phase Equilibria 315 (2012) 113125

Contents lists available at SciVerse ScienceDirect

Fluid Phase Equilibria


journal homepage: www.elsevier.com/locate/fluid

Developing correlations for the properties of petroleum fuels and their fractions
Tareq A. Albahri
Chemical Engineering Department, Kuwait University, P.O. Box 5969, Safat 13060, Kuwait

a r t i c l e

i n f o

Article history:
Received 9 August 2011
Received in revised form 5 November 2011
Accepted 20 November 2011
Available online 1 December 2011
Keywords:
Specic gravity
API gravity
Petroleum fraction
Petroleum Fuel
Characterization
Correlation
ASTM D86 distillation

a b s t r a c t
A new method is presented for developing correlations to calculate the properties of petroleum fuels
and their fractions. The method is based on a theory that the shape of the boiling point distribution
curve of a petroleum fuel is representative of the components within and when coupled with an appropriate mathematical model it can be used to calculate its properties. The fuels ASTM D86 distillation
temperature-distribution is divided into equal-volume pseudo-component cuts each of which is assigned
a property volume blending index the aggregation of which provides an accurate estimation of the global
property of the whole petroleum fuel, or portions thereof. The methods predictive ability is demonstrated
by predicting the specic gravity (SG) of 206 petroleum fuels with an average percentage error of about
0.87% which is more accurate than other published methods. Several correlations are developed based
on the fuels available boiling temperatures. The method was further used to predict the SG of light and
heavy naphtha splits from the parent fuels boiling temperatures with an average error of 3.2% which is
more accurate than the API published method.
2011 Elsevier B.V. All rights reserved.

1. Introduction
Petroleum products typically consist of thousands of chemical
compounds with undened composition. These products are generally identied and classied based on their bulk properties such
as the range of distillation, density, viscosity and the like. These
data are useful for the design and operation of petroleum rening
processes for production of such fuels and during delivery to the
end-user. Ideally, fuels properties are determined experimentally
in the laboratory on actual uid samples taken from the process
under study.
Sophisticate analytical equipments such as GC, IR, NMR, HNMR,
CNMR, and FTIR have been used to estimate the properties of
petroleum fuels indirectly. However, these extensive experimental programs can be complex, expensive and time consuming and
thus undermine the motivation for analyzing each feedstock, hence
these analytical methods did not nd wide acceptance in daily
renery operation. Because of the expense of the experimental
determination of such data, there is interest in their accurate prediction. A series of simplied correlations has been proposed during
the last ve decades for the evaluation of the physical properties of
petroleum fuels [1].
One of the most important physical characteristics of a
petroleum product that sets its price is density. Density is expressed
in the rening industry in terms of API gravity through the

Tel.: +965 2498 7459; fax: +965 2483 9498.


E-mail address: toalbahri@gmail.com
0378-3812/$ see front matter 2011 Elsevier B.V. All rights reserved.
doi:10.1016/j.uid.2011.11.019

well-known equation API = 141.5/SG 131.5 [1]. API gravity is also


a very important parameter for correlating many of the other properties of petroleum fuels [1,2]. It has been contemplated that the API
gravity and the boiling point(s) are the minimum required parameters to completely characterize a petroleum fuel with all other
properties of petroleum fuel may be calculated starting from these
two properties alone.
The SG gravity of crude oil and petroleum products is usually
determined experimentally in the lab using a very simple ASTM
D 287-92 procedure using the hydrometer method [3]. Its simplicity, made the hydrometer test very common is renery daily
operation. Other experimental methods for petroleum fuel density
include utilizing spectrometry, LC and GCMS, ultrasonic waves,
and speed of sound. However, when API experimental values are
not available for process engineers, academics, and chemical engineering simulation software, they must be estimated for research
and operational purposes.
Petroleum fuels are mixtures of undened composition and
therefore determining their property is not straight forward. Usually generalized correlations or intricate EOS are used with lumped
correlation parameters or equation constants since the exact determination of parameters is not possible when the composition is
unknown. Estimating these parameters compromises the accuracy
of these EOS.
Riazi [4] provided equations for calculating the density of single
carbon number hydrocarbon groups for C6 C50 in crude oils and
oil fractions. Riazi [5] further developed a two-parameter distribution model to predict complete property distributions for specic
gravity for C7 + fractions. Three mixture bulk properties such as

114

T.A. Albahri / Fluid Phase Equilibria 315 (2012) 113125

molecular weight, specic gravity, and refractive index are needed


unless distillation (TBP) analysis is available, then only two bulk
properties are sufcient. Riazi [6] later proposed a simple cubic
equation of state (EOS) that predicts the densities for hydrocarbon systems with an average error of 1.7 percent for hydrocarbon
mixtures (C1 C40 ). When applied to petroleum fractions the EOS
requires the molecular weight, refractive index, and density at 20 C
as input parameters. Riazi [7] further developed a simple correlation to predict the SG of petroleum fuel from the distillation curve
temperatures at 10 and 50 vol.% with an absolute average deviation
of 2.2%. Other methods presented require the kinematic viscosities
in cSt or the boiling point with the refractive index for light hydrocarbons, and the molecular weight with the refractive index for
the heavy hydrocarbons. These parameters are not always available
making these methods less convenient.
Tsonopoulos et al. [8] suggested a relation to calculate the
SG in terms of the boiling point that has an average relative
deviation of 2.5% for coal liquids. That equation was not recommended for pure hydrocarbons or petroleum fuels. Valderrama
and Abu-Sharkh [9] proposed two new generalized correlations
for predicting saturated liquid densities of pure components and
petroleum fuels at temperatures between the triple point and
the critical point. The correlations use as input parameters the
critical properties, the molecular weight, and the normal boiling
temperature. The proposed correlations predict the density of saturated liquids with an average deviation of 3% for most uids
and a maximum deviation of 5%. Gomez [10,11] developed new
empirical equations to estimate the liquid density of petroleum
fuels, hydrocarbon mixtures, and some coal liquids at specic temperatures with the specic gravity and Watson K factor as input
parameters. Method accuracy was compared only to those of API
monograph.
Al-Mehaideb et al. [12] proposed an empirical correlation that
improves the prediction of density by the PengRobinson equation
of state for crude oils. The parameters of the empirical correlation that characterizes the C7 + fraction of the crude oil are
calculated from the molecular weight and specic gravity. The
correlation predictions compared with the experimental data of
418 oil samples with an overall average and maximum percentage errors of 1.8% and 4.82%, respectively. Hanafy et al. [13]
derived empirically PVT correlations to estimate the properties
of crude oil including the density. The correlation relates the oil
density to the oil volume factor which has to be estimated as
well.

The boiling point distribution obtained from ASTM distillation


apparatus is representative of the composition of the petroleum
fuel. Therefore, by determining the presence in terms of boiling
points and volume percent of these components the overall physical properties can be determined.
It has been shown that the global physical property of the
petroleum fuel, , can be calculated by integration of the pure component properties along the true boiling point curve according to
the following relation by Riazi and Daubert [14],

(x) dx

property distribution curve and Eq. (1) may be approximated by


the following expression representing that area,
=

n


i (x)xi

(2)

i=1

where n is the number of increments (or the number of the pseudocomponents), x is the increment size (i.e. volume fraction of
the pseudocomponents), i (x) is the property value or a function
thereof for the increment xi (or the pseudocomponent). Since
some pure component properties do not mix linearly, mixing rules
may be applied to estimate the properties of the dened mixture.
It is therefore possible to predict analytical results for multicomponent mixtures through simple accounting or methods for
aggregating the components into lumped fractions with respect to
composition. In the proposed model, a petroleum fuel is divided
into a number of increments along the true boiling point (TBP)
curve as shown in Fig. 1 equal to the number of pseudocomponents in that fraction. The average property  is computed using
weight, mole, or volume fractions as appropriate, where f()i may
be the property of pseudocomponent i or a function thereof [15].
=

n


f (i )xi

(3)

i=1

To relate the API of a petroleum cut, for example, to that of the


components within, the specic gravity (SG) at 15 C is used (since
API does not mix linearly) and the above property relation may be
written as follows,

2. Theory

=

Fig. 1. Simulation of a true boiling point (TBP) curve using pseudocomponents.

(1)

where x is the fraction of volume vaporized in a TBP distillation, and (x) is the property value at x. For a nite number of
increments (components), the solution of the integral term in the
above equation may be attained by calculating the area under the

SG =

SG(x) dx

(4)

for a nite number of components, n, this relation may be reduced


to the following,
SG =

n


(SG)i (xv )i

(5)

i=1

where (xv )i is the volume fraction of component i in the petroleum


fuel. Similar relations may be produced for other properties as well.
According to the proposed method, the boiling point distribution, such as that obtained from the ASTM D86 distillation for
example, is rst tted to any form of algebraic equation. Although
many mathematical expressions have been used for this type of calculations to t the ASTM distillation curve, such as the probability
density function [16] or a properly modied Legendre or splines,

T.A. Albahri / Fluid Phase Equilibria 315 (2012) 113125

115

a simple yet accurate interpolation scheme in the form of a fourth


order polynomial function in the following form is used,
Tbi = ai + bi2 + ci3 + di4 + e

(6)

for which the equation constants a, b, c, d, and e are easy to


be estimate by regression from the ASTM distillation curve of
the petroleum fuel. This equation is used to generate a multitude of boiling point values (Tbi ) at desired values of the samples
middle-volume percent distilled. In the above equations  i is the
cumulative volume fraction at the mid-volume percent of pseudocomponent i given by the following equation with xv as the volume
fraction,
i =

i1


xvj +

xvi
2

(7)

j=1

The mathematical tting of the TBP curve in the form of Eq. (6) is
a source of unlimited number of boiling point values for an unlimited number of pseudo-components, the property volume blending
index for which can be calculated.
The volume blending index is not a real property value but rather
a blending value that when aggregated for the pseudocomponents
produces the real property value of the whole petroleum fuel. Thus,
a property of a petroleum fuel, in general, may be calculated by the
following equation,

Fig. 2. ASTM D86 boiling point distribution and the specic gravity volume blending
index distribution.

where (xv )i is the volume fraction of the pseudocomponent cut,


n is the number of pseudocomponent cuts. The property volume
blending index of cut i is given by the following quadratic equation,

5. Diesel hydrotreating (unit 16) desulfurized diesel product.


6. Naphtha hydrotreating (unit 17) saturated naphtha feed, unsaturated naphtha feed and desulfurized naphtha product.
7. Delayed coker (unit 20) thermally cracked heavy naphtha, diesel,
and coker gas oil products.

(PVBI)i = a + b(Tb )i + c(Tb )2i

4. Results and discussion

Property =

(xv )i (PVBI)i ,

where i = 1, 2, 3, . . . , n

(8)

(9)

where (PVBI)i is the property volume blending index which could


be the specic gravity for example or any other property of choice,
(Tb )i is the boiling point value from the ASTM D86 distillation curve
corresponding to the mid volume percent of the pseudocomponent
cut i, given by Eq. (6).
Mole and weight blending indexes may also be used in Eq. (8)
with the volume blending index being more preferred for SG. In
that case appropriate weight, mole, or volume fraction averaging
or blending method may be used. Furthermore, other averaging
methods of the volume, weight, or mole blending indexes may be
used instead of linear averaging. Non-linear averaging is also possible either in terms the mole, weight, and volume fractions or in
terms of the mole, weight, and volume blending indexes, or in terms
of both.
3. Base data
206 oil samples used in this study are presented in Table 1 ranging in API gravity from 12.3 to 75.1 (SG from 0.6849 to 0.9840),
initial boiling point from 32 to 336 C and nal boiling points from
93 to 566 C. All of these samples have been obtained from Kuwait
National Petroleum Company as part of their routine sampling
schedule and consist of the following;
1. Crude oil distillation (unit 11) products like naphtha, kerosene,
diesel and atmospheric residue (feed to the atmospheric unit
desulfurization unit 12). These are straight-run high-sulfur products. Sulfur in the crude oil feed to unit 11 is 2.6%.
2. Atmospheric residue desulfurization (unit 12) naphtha, diesel
and fractionator bottoms products, all of which are low in sulfur.
3. Catalytic hydrocracker (unit 14) vacuum gas oil feed and light
naphtha, heavy naphtha, ATK and gas oil products.
4. Kerosene hydrotreating (unit 15) desulfurized kerosene product.

4.1. SG of petroleum fuel


For calculating the specic gravity of the petroleum fuel, Eq.
(9) is used to calculate the specic gravity volume blending index
(SGVBI)i where Tbi is in C using the following constants determined
by regression from experimental data and the least square method;
a = 0.6405, b = 8.4783E04, and c = 4.84E07.
The distribution of the specic gravity volume blending index
(SGVBI)i is shown along with that of the ASTM D86 boiling point
temperature in Fig. 2. A quadratic equation was good enough to
capture the distribution of the SG volume blending index. There
was no need for a higher order polynomial function since the constant for the third and fourth order parameters were evaluated by
regression as nil.
Choosing 100 volume-based pseudocomponents with a 1 vol.%
cut each (xvi = 0.01), the specic gravity is calculated from Eq. (8) by
simply volume-averaging the (SGVBI)i calculated for the 100 cuts
at cumulative mid-volume percent values of 0.5, 1.5, 2.5, . . ., 99.5
as follows,
SG =

(SGVBI)i ,

where i = 1, 2, 3, . . . , 100

(10)

and the specic gravity volume blending index (SGVBI)i given by


the following quadratic equation,
(SGPVBI)i = 0.6405 + 8.4783E 04(Tb )i 4.84E 07(Tb )i 2 ,
where i = 1, 2, 3, . . . , 100

(11)

Having tested the above procedure to predict the SG of 206


petroleum fuels shown in Table 1, the predicted specic gravities
for these petroleum fuels are plot against experimental data in the
parity diagram in Fig. 3 with a correlation coefcient of 0.987. The

116

T.A. Albahri / Fluid Phase Equilibria 315 (2012) 113125

Table 1
Experimental API gravities and ASTM D86 & D1160 tests distillation temperatures ( C) for petroleum oil samples.
Sample no.

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74

Sample name

Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 16 diesel
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 16 diesel
Unit 17 sat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha

API

70.8
47.3
34.1
64.9
46.6
61.1
71
47.5
34.2
64.8
46.7
61.6
63.6
71.2
47.6
34.6
64.8
46.6
58.5
63.2
70.8
47.4
34.1
65
46.6
63.3
71
47.6
34.4
64.6
45.4
36.9
61.4
63.5
71.1
42.1
34.5
64.5
46.9
61.5
63.3
71.4
47.8
34.4
64.4
47
33.3
61.6
70.7
47.1
34.1
64.8
46.4
61.4
63.1
70.9
47.6
34.7
64.8
46.6
61
63.3
70.8
47.6
34.3
65
46.4
62.3
70.6
47.5
34.1
64.4
45
62.1

Test

D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86

Boiling point temperatures ( C) at vol.%


0

10

30

50

70

90

95

100

32
156
228
62
149
50
36
146
236
62
147
49
66
32
147
237
63
151
47
64
33
146
225
63
154
67
32
148
212
64
151
232
48
79
36
149
233
67
147
49
70
37
163
221
67
160
234
52
38
152
234
61
155
48
64
34
144
232
67
148
49
67
34
159
233
65
149
46
35
114
191
67
149
48

44
170
228
79
168
78
48
167
256
79
169
74
82
45
168
257
80
169
72
81
46
166
258
79
171
81
44
164
258
79
169
258
75
81
48
169
256
82
166
78
82
48
167
254
83
173
261
79
49
170
259
81
172
75
79
46
166
254
82
169
74
80
48
173
259
81
171
72
48
167
251
82
169
71

51
174
269
82
173
86
53
172
267
83
173
83
84
52
172
267
83
173
81
83
52
172
269
83
175
84
50
169
267
83
174
268
83
84
53
172
266
85
171
85
84
53
172
259
86
176
270
86
52
175
269
84
177
83
82
51
168
267
84
173
82
83
54
177
271
84
174
80
54
172
264
86
174
81

76
190
287
94
188
108
76
187
286
95
188
105
93
77
187
284
93
188
103
92
77
188
286
93
190
93
74
187
285
92
189
291
105
91
74
187
284
94
188
106
93
76
184
283
97
189
292
107
77
188
286
95
191
105
92
76
186
286
95
189
104
92
77
191
288
95
189
102
77
187
283
96
189
102

96.1
201
303
106
200
122
97.8
198
302
107
200
119
104
98.9
203
299
104
200
118
102
101
199
302
105
202
103
97.8
198
302
104
201
309
119
102
96.7
197
301
104
201
118
102
97.8
196
299
109
201
311
121
100
199
302
106
203
120
103
98.9
197
302
107
202
118
103
99.4
201
303
106
201
117
99.4
198
299
106
201
116

119
214
326
121
214
133
118
211
324
119
214
132
117
121
209
321
117
213
130
115
122
211
324
119
216
114
119
211
324
118
215
332
132
114
118
209
323
118
215
133
115
119
208
322
123
214
334
132
119
211
322
119
216
132
116
121
208
324
122
216
131
117
121
212
326
118
214
129
121
211
322
119
214
128

142
231
363
138
232
145
142
228
360
139
233
144
133
143
226
353
133
231
142
131
144
228
363
136
233
132
142
228
366
137
233
365
143
132
142
226
359
136
235
144
132
141
224
358
139
232
366
145
145
226
355
136
234
143
132
145
224
361
138
236
143
135
144
228
362
136
233
140
143
227
356
134
232
138

151
237
381
146
238
149
149
233
376
147
240
149
143
152
231
367
138
237
146
137
153
233
382
141
239
138
151
235
383
144
241
381
148
140
151
232
376
144
243
149
140
150
229
375
147
239
379
150
154
230
367
142
241
147
141
156
229
376
147
244
148
147
153
233
377
143
240
144
152
256
367
139
239
142

181
251
397
162
246
155
159
240
395
171
251
172
157
166
237
382
144
243
151
144
166
248
394
152
249
146
178
238
388
161
253
391
169
156
169
238
396
159
263
172
157
154
236
390
166
252
394
167
172
234
382
153
250
153
158
159
234
396
166
263
152
169
174
240
396
159
251
150
169
341
384
147
248
145

Recovery

SG

98.6
99
98.1
98.8
98.9
98.8
98.8
98.9
99
98.8
98.9
98.9
98.9
98.9
98.9
98.9
99
99
98.9
99
98.9
98.5
98.5
98.9
98.9
99
97.7
98.9
98.9
98.7
98.9
98.9
98.9
98.8
98.6
98.9
98.8
98.9
98.6
98.9
98.7
98.8
99
98.1
98.9
98.9
98.9
98.6
98.9
98.9
99
98.9
98.9
98.9
98.9
98.7
98.9
99
98.9
98.9
98.7
98.9
98
98.9
98.6
99
98.8
98.9
98.9
98.9
98.9
99
99
98.9

0.6995
0.7914
0.8545
0.7205
0.7945
0.7347
0.6988
0.7905
0.8540
0.7208
0.7941
0.7328
0.7253
0.6981
0.7901
0.8519
0.7208
0.7945
0.7447
0.7268
0.6995
0.7909
0.8545
0.7201
0.7945
0.7264
0.6988
0.7901
0.8529
0.7216
0.7999
0.8403
0.7335
0.7256
0.6984
0.8151
0.8524
0.7219
0.7932
0.7332
0.7264
0.6974
0.7892
0.8529
0.7223
0.7927
0.8586
0.7328
0.6998
0.7923
0.8545
0.7208
0.7954
0.7335
0.7271
0.6991
0.7901
0.8514
0.7208
0.7945
0.7351
0.7264
0.6995
0.7901
0.8534
0.7201
0.7954
0.7301
0.7001
0.7905
0.8545
0.7223
0.8017
0.7309

T.A. Albahri / Fluid Phase Equilibria 315 (2012) 113125

117

Table 1 (Continued)
Sample no.

Sample name

API

Test

75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149

Unit 17 unsat naphtha


Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 16 diesel
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 14 light naphtha
Unit 14 havy naphtha
Unit 14 ATK
Unit 14 gas oil
Unit 14 light naphtha
Unit 14 havy naphtha
Unit 14 ATK
Unit 14 gas oil
Unit 20 havy naphtha
Unit 20 diesel
Unit 20 havy naphtha
Unit 12 naphtha
Unit 12 diesel
Unit 12 naphtha
Unit 12 diesel
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO

63.7
70.7
47.6
34.1
64.8
46.8
61.9
63.1
70.8
47.7
34.4
64.8
45.8
61.3
70.9
47.6
34.4
64.8
46.7
61.2
62.4
71.5
47.5
34.1
64.5
46.6
61.4
62.7
71.4
47.5
34.3
64.9
46.8
61.5
70.8
47.3
34.1
64.9
46.6
62.2
62.9
70.8
47.1
34
65.1
46.9
62.2
63.3
73.2
55.5
42.5
37.1
75.1
56.1
43.3
37.3
63.1
30.1
64.8
61.2
32.1
61.5
31.6
25.1
25
25.3
25.3
25
24.9
25
25
25.2
25.6
25.6
25.6

D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160

Boiling point temperatures ( C) at vol.%


0

10

30

50

70

90

95

100

67
34
151
232
64
153
53
68
32
137
230
64
130
43
38
148
229
67
142
52
73
32
152
235
63
153
51
67
37
151
233
62
147
47
32
148
231
64
139
49
68
33
138
221
67
154
46
69
40
107
139
254
41
106
151
262
71
257
62
48
188
51
200
233
236
246
271
268
269
243
277
250
252
260
249

85
47
167
257
80
170
79
81
45
165
248
80
168
59
48
169
257
82
167
76
84
44
168
257
81
169
78
81
44
168
257
80
168
73
46
170
257
79
169
76
82
47
169
248
82
173
72
83
51
108
164
292
49
108
166
283
84
277
76
74
213
77
220
347
349
354
352
358
344
354
347
354
354
359
356

82
52
173
268
84
174
85
84
51
171
268
83
173
69
53
173
265
85
172
83
87
51
174
268
84
174
86
82
49
173
266
83
173
81
52
173
269
83
173
84
86
53
175
262
86
176
81
87
53
112
169
302
52
109
169
291
86
284
77
84
228
83
238
377
375
377
374
379
369
378
371
379
378
381
377

91
76
188
287
94
190
105
93
73
187
287
94
188
96
76
188
284
94
188
106
95
74
189
285
95
189
108
89
72
188
284
94
188
104
75
190
287
94
189
104
95
76
188
282
97
190
100
95
61
115
189
320
57
111
187
311
95
302
87
107
287
105
291
421
421
426
416
420
418
420
418
418
419
419
423

101
98.3
199
303
105
201
118
104
96.1
197
301
107
200
115
98.3
198
300
106
200
121
106
97.8
199
300
107
201
123
98.3
94.4
198
299
105
199
120
97.8
200
302
104
201
121
106
97.8
200
298
109
202
116
106
68.9
118
211
337
64.4
114
208
328
112
319
97.8
122
318
119
321
448
448
454
443
447
446
447
444
446
447
451
449

114
120
211
325
119
216
131
116
118
210
326
122
214
131
121
210
323
120
215
134
121
119
211
320
121
216
137
112
117
210
319
119
213
133
118
211
324
118
216
133
119
120
213
320
123
216
127
116
78
122
235
353
73
119
231
346
119
341
112
133
343
131
345
473
473
486
471
474
473
473
471
474
474
474
475

129
87
228
362
137
234
142
134
142
227
362
143
233
145
143
226
359
138
234
146
139
143
227
352
138
234
147
131
139
226
350
136
231
144
143
229
360
136
234
147
139
141
231
355
140
234
139
132
88
129
265
374
84
126
259
369
134
370
132
147
372
143
373
510
508

135
151
233
378
143
242
146
141
153
233
376
186
240
150
153
231
375
145
241
149
149
154
232
366
146
241
151
141
147
231
361
144
237
148
153
236
374
144
241
153
149
149
237
367
148
241
143
138
92
132
276
382
89
129
269
378
143
384
142
151
384
147
383
526
522

509
514
509
508
504
510
511
512
511

524
524
521
521
514
524
526
524
527

142
168
241
396
160
254
150
156
175
239
391
188
249
159
156
236
393
158
252
157
173
183
238
381
163
252
170
153
159
238
377
161
245
153
176
246
392
174
254
166
167
157
243
381
160
250
147
143
92.8
139
288
389
92.8
135
282
384
159
397
163
180
391
153
394
535
534
531
532
534
526
526
524
536
537
536
537

Recovery

SG

99
98.9
98.8
99
98.9
98.9
98.9
98.9
98.9
98.9
98.8
98.7
99
98.7
98.6
98.9
98.9
98.9
98.9
98.9
98.6
98.8
98.9
98.9
98.9
98.9
98.8
98.8
98.4
98.8
98.9
98.9
98.9
98.9
98.9
98.9
99
98.9
98.9
98.1
98.9
98.9
98.8
98.7
98.9
98.8
98.9
98.9
96.4
98.9
98.9
98.9
98.7
98.9
98.9
98.8
98.9
98.9
98.5
98.9
98.8
98.9
98.9
98.5
99
89
98.5
98
97.5
97.5
99
98.9
98.5
98.5
98.5

0.7249
0.6998
0.7901
0.8545
0.7208
0.7936
0.7316
0.7271
0.6995
0.7896
0.8529
0.7208
0.7981
0.7339
0.6991
0.7901
0.8529
0.7208
0.7941
0.7343
0.7298
0.6970
0.7905
0.8545
0.7219
0.7945
0.7335
0.7286
0.6974
0.7905
0.8534
0.7205
0.7936
0.7332
0.6995
0.7914
0.8545
0.7205
0.7945
0.7305
0.7279
0.6995
0.7923
0.8550
0.7197
0.7932
0.7305
0.7264
0.6913
0.7567
0.8132
0.8393
0.6849
0.7543
0.8095
0.8383
0.7271
0.8756
0.7208
0.7343
0.8649
0.7332
0.8676
0.9036
0.9042
0.9024
0.9024
0.9042
0.9047
0.9042
0.9042
0.9030
0.9007
0.9007
0.9007

118

T.A. Albahri / Fluid Phase Equilibria 315 (2012) 113125

Table 1 (Continued)
Sample no.

Sample name

API

Test

150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206

Unit 14 feed VGO


Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 .G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O

25.2
25
25.8
25.9
25.1
25.4
25
25.4
25.3
24.9
12.4
19.1
12.3
18.8
12.4
18.9
12.3
19.2
12.8
18.8
13.1
19.7
12.8
18.8
12.3
12.7
13
18.7
13.1
19
13
19.2
13.4
19.2
27.4
21.9
22.1
21.8
21.5
22
22.4
22.2
22.2
22.4
22.2
22.3
22
22.2
22.6
22.3
22
22.8
22.4
22.2
22.8
22.9
22.2

D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160

Boiling point temperatures ( C) at vol.%


0

10

30

50

70

90

95

100

277
230
262
262
308
261
282
262
280
251
281
304
278
297
275
297
281
306
277
314
266
308
269
276
273
314
276
327
283
284
282
336
281
331
198
202
207
203
206
204
194
210
211
198
209
242
214
218
207
199
203
203
202
203
194
221
204

345
344
354
359
357
359
365
361
349
354
366
394
365
387
364
393
365
394
362
389
356
387
360
408
359
390
362
396
355
391
357
393
359
398
298
303
307
291
294
302
296
303
303
299
298
319
294
296
299
305
302
301
298
299
301
291
302

371
371
376
379
383
395
381
382
376
377
397
421
398
413
395
418
399
422
394
414
387
410
393
430
392
412
395
421
392
416
394
419
393
422
331
334
334
330
327
337
331
337
330
333
331
346
332
332
336
347
331
333
329
332
332
332
336

418
419
420
422
425
419
427
422
422
421
479
479
477
472
474
478
480
480
479
474
470
467
476
481
472
467
478
479
474
474
475
477
473
479
386
390
393
387
388
389
386
387
387
387
387
396
387
389
389
398
389
387
386
390
389
389
386

446
447
448
451
451
447
449
451
448
450
538
541

473
472
474
477
477
467
477
477
476
477

507
507
514
513
511
511
514
514
513
514

522
518
526
528
522
526
522
529
524
527

528
524
536
533
525
538
537
537
528
538
549
566
528
523
523
534
543
564
529
554
525
537
549
561
522
534
551
561
542
536
543
539
542
545
495
498
523
520
520
518
497
490
488
493
496
498
496
501
510
507
507
499
507
531
505
498
498

544
539
532
523
541
541
521
543
538
531
535
536
413
418
422
419
421
421
414
413
416
416
415
422
416
419
417
419
418
416
414
422
418
416
418

437
442
450
446
453
448
440
438
440
439
438
444
441
446
442
449
444
440
440
453
442
441
444

465
472
489
480
489
486
468
469
469
468
466
473
470
479
472
475
476
470
476
504
472
472
476

477
485
508
497
511
504
481
483
479
479
477
489
482
491
497
490
489
483
489
531
486
487
488

Recovery

SG

99
97.5
98.9
97.5
97
98.9
98
98.5
97.5
99
50.5
58
46
48
44
49
50.5
57.5
45
57.5
49.5
55
52.5
57
48.5
53.5
51
57.5
50

0.9030
0.9042
0.8996
0.8990
0.9036
0.9018
0.9042
0.9018
0.9024
0.9047
0.9833
0.9396
0.9840
0.9415
0.9833
0.9408
0.9840
0.9390
0.9806
0.9415
0.9786
0.9358
0.9806
0.9415
0.9840
0.9813
0.9792
0.9421
0.9786
0.9402
0.9792
0.9390
0.9765
0.9390
0.8905
0.9224
0.9212
0.9230
0.9248
0.9218
0.9194
0.9206
0.9206
0.9194
0.9206
0.9200
0.9218
0.9206
0.9182
0.9200
0.9218
0.9170
0.9194
0.9206
0.9170
0.9165
0.9206

50
51.5
49.5
53
99
98.5
98
98.9
97.5
97.5
98.5
98
98
98.5
99
97
98.5
98
98.5
98.5
98.9
98.5
98.5
95
98.5
98
98.5

Unit 11 = crude oil distillation unit, Unit 12 = atmospheric residue distillation unit, Unit 14 = gas oil hydrocracking, Unit 15 = naphtha hydrotreating unit, Unit 16 = kerosene
Hydrotreating unit, Unit 17 = diesel hydrotreating unit, and Unit 20 = delayed coking unit.

average absolute deviation is 0.0091 and the absolute average percentage error is 1.12% which is well within the error obtained in
tting the experimental data suing Eq. (6). The maximum deviation
and error are 0.0647% and 8.16%, respectively. Although the model
parameters in Eq. (11) were determined using the experimental
data of only six petroleum fuels, yet the model compared with the
experimental data when tested on the other 200 petroleum fuels
with remarkable accuracy.
Eq. (6) was able to t the experimental data for all types of
distillation curves shown in Table 1 ranging from light naphtha
to desulfurized fractionator bottoms with a correlation coefcient

ranging from 0.9300 (for sample no. 70) to 0.9999 (for sample no.
43) with an average of 0.9900 for all samples. Sample no. 70 mentioned above was characterized by more complex distillation curve
with certain regions having abrupt change in slope. Although tting
of the distillation curve for that sample was less accurate than others (with a correlation coefcient of 0.9300), yet the method was
able to predict the specic gravity of that sample very accurately
with a percentage error of 0.01% as shown in Table 2. Apparently the
errors in tting Eq. (6) and using Eqs. (10) and (11) even out and the
overall error is small. Eq. (6) was also capable of tting sample 127
for light naphtha characterized by a small slope and slight change in

T.A. Albahri / Fluid Phase Equilibria 315 (2012) 113125

119

Table 2
Experimental and calculated specic gravities using different equations for petroleum oil samples.
Sample no.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76

Sample name

Test

SG exp.

Eq. (10)

% error

Eq. (14)

% error

Eq. (15)

% error

Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 16 diesel
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 16 diesel
Unit 17 sat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha

D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86

0.6995
0.7914
0.8545
0.7205
0.7945
0.7347
0.6988
0.7905
0.8540
0.7208
0.7941
0.7328
0.7253
0.6981
0.7901
0.8519
0.7208
0.7945
0.7447
0.7268
0.6995
0.7909
0.8545
0.7201
0.7945
0.7264
0.6988
0.7901
0.8529
0.7216
0.7999
0.8403
0.7335
0.7256
0.6984
0.8151
0.8524
0.7219
0.7932
0.7332
0.7264
0.6974
0.7892
0.8529
0.7223
0.7927
0.8586
0.7328
0.6998
0.7923
0.8545
0.7208
0.7954
0.7335
0.7271
0.6991
0.7901
0.8514
0.7208
0.7945
0.7351
0.7264
0.6995
0.7901
0.8534
0.7201
0.7954
0.7301
0.7001
0.7905
0.8545
0.7223
0.8017
0.7309
0.7249
0.6998

0.7176
0.7919
0.8548
0.7266
0.7913
0.7340
0.7181
0.7900
0.8551
0.7268
0.7916
0.7325
0.7253
0.7188
0.7902
0.8535
0.7250
0.7912
0.7310
0.7240
0.7195
0.7902
0.8558
0.7256
0.7925
0.7242
0.7176
0.7896
0.8557
0.7254
0.7923
0.8579
0.7325
0.7240
0.7177
0.7895
0.8545
0.7259
0.7918
0.7329
0.7244
0.7182
0.7884
0.8534
0.7286
0.7923
0.8588
0.7336
0.7192
0.7903
0.8545
0.7265
0.7932
0.7325
0.7243
0.7189
0.7884
0.8552
0.7274
0.7927
0.7317
0.7251
0.7194
0.7917
0.8562
0.7263
0.7922
0.7303
0.7192
0.7906
0.8531
0.7263
0.7919
0.7295
0.7233
0.7134

2.59
0.06
0.04
0.85
0.40
0.09
2.77
0.06
0.13
0.83
0.31
0.04
0.00
2.96
0.01
0.18
0.58
0.41
1.84
0.38
2.86
0.10
0.16
0.77
0.25
0.30
2.70
0.05
0.33
0.52
0.95
2.10
0.15
0.23
2.76
3.14
0.25
0.55
0.18
0.04
0.27
2.98
0.10
0.05
0.87
0.05
0.02
0.11
2.77
0.25
0.00
0.78
0.27
0.14
0.39
2.83
0.21
0.44
0.91
0.22
0.45
0.18
2.85
0.21
0.32
0.86
0.40
0.02
2.72
0.01
0.16
0.55
1.22
0.19
0.22
1.94

0.7120
0.7938
0.8557
0.7224
0.7932
0.7312
0.7127
0.7919
0.8548
0.7228
0.7934
0.7295
0.7208
0.7134
0.7920
0.8535
0.7208
0.7931
0.7278
0.7196
0.7141
0.7922
0.8554
0.7215
0.7945
0.7199
0.7120
0.7914
0.8553
0.7211
0.7942
0.8573
0.7294
0.7196
0.7121
0.7913
0.8543
0.7217
0.7936
0.7299
0.7199
0.7126
0.7902
0.8530
0.7248
0.7942
0.8581
0.7306
0.7135
0.7923
0.8545
0.7224
0.7952
0.7295
0.7197
0.7133
0.7901
0.8550
0.7233
0.7946
0.7285
0.7206
0.7141
0.7936
0.8559
0.7222
0.7940
0.7269
0.7139
0.7918
0.8534
0.7223
0.7938
0.7262
0.7184
0.7037

1.80
0.30
0.14
0.27
0.16
0.48
1.99
0.18
0.10
0.27
0.08
0.45
0.62
2.19
0.25
0.19
0.01
0.18
2.27
0.99
2.10
0.15
0.11
0.19
0.01
0.90
1.90
0.17
0.27
0.07
0.71
2.03
0.56
0.84
1.95
2.91
0.22
0.03
0.06
0.45
0.89
2.18
0.13
0.01
0.34
0.18
0.06
0.29
1.96
0.00
0.00
0.22
0.02
0.55
1.02
2.03
0.00
0.43
0.34
0.01
0.90
0.80
2.09
0.45
0.29
0.29
0.17
0.44
1.96
0.17
0.13
0.00
0.99
0.64
0.89
0.55

0.7124
0.7948
0.8545
0.7212
0.7941
0.7344
0.7139
0.7929
0.8537
0.7217
0.7941
0.7326
0.7193
0.7149
0.7959
0.8526
0.7197
0.7941
0.7312
0.7178
0.7163
0.7933
0.8537
0.7202
0.7952
0.7183
0.7139
0.7925
0.8537
0.7193
0.7948
0.8572
0.7326
0.7173
0.7129
0.7921
0.8532
0.7197
0.7944
0.7312
0.7178
0.7139
0.7910
0.8523
0.7236
0.7944
0.8582
0.7335
0.7159
0.7933
0.8537
0.7212
0.7959
0.7330
0.7183
0.7149
0.7918
0.8540
0.7217
0.7952
0.7316
0.7183
0.7154
0.7944
0.8545
0.7207
0.7944
0.7302
0.7154
0.7925
0.8523
0.7212
0.7944
0.7293
0.7168
0.7144

1.85
0.43
0.01
0.10
0.06
0.03
2.17
0.30
0.03
0.12
0.00
0.03
0.83
2.41
0.75
0.08
0.15
0.06
1.82
1.23
2.41
0.30
0.09
0.02
0.09
1.11
2.17
0.31
0.09
0.32
0.63
2.01
0.13
1.15
2.08
2.82
0.09
0.30
0.16
0.27
1.18
2.37
0.23
0.07
0.18
0.22
0.05
0.10
2.29
0.13
0.09
0.05
0.07
0.07
1.22
2.26
0.21
0.30
0.12
0.09
0.47
1.11
2.28
0.55
0.13
0.08
0.12
0.01
2.17
0.26
0.25
0.15
0.91
0.22
1.11
2.08

120

T.A. Albahri / Fluid Phase Equilibria 315 (2012) 113125

Table 2 (Continued)
Sample no.

Sample name

Test

SG exp.

Eq. (10)

% error

Eq. (14)

% error

Eq. (15)

% error

77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153

Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 16 diesel
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 11 naphtha
Unit 11 kerosen
Unit 11 diesel
Unit 17 naphtha
Unit 15 kerosen
Unit 17 sat naphtha
Unit 17 unsat naphtha
Unit 14 light naphtha
Unit 14 havy naphtha
Unit 14 ATK
Unit 14 gas oil
Unit 14 light naphtha
Unit 14 havy naphtha
Unit 14 ATK
Unit 14 gas oil
Unit 20 havy naphtha
Unit 20 diesel
Unit 20 havy naphtha
Unit 12 naphtha
Unit 12 diesel
Unit 12 naphtha
Unit 12 diesel
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO

D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D86
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160

0.7901
0.8545
0.7208
0.7936
0.7316
0.7271
0.6995
0.7896
0.8529
0.7208
0.7981
0.7339
0.6991
0.7901
0.8529
0.7208
0.7941
0.7343
0.7298
0.6970
0.7905
0.8545
0.7219
0.7945
0.7335
0.7286
0.6974
0.7905
0.8534
0.7205
0.7936
0.7332
0.6995
0.7914
0.8545
0.7205
0.7945
0.7305
0.7279
0.6995
0.7923
0.8550
0.7197
0.7932
0.7305
0.7264
0.6913
0.7567
0.8132
0.8393
0.6849
0.7543
0.8095
0.8383
0.7271
0.8756
0.7208
0.7343
0.8649
0.7332
0.8676
0.9036
0.9042
0.9024
0.9024
0.9042
0.9047
0.9042
0.9042
0.9030
0.9007
0.9007
0.9007
0.9030
0.9042
0.8996
0.8990

0.7904
0.8557
0.7260
0.7926
0.7322
0.7250
0.7172
0.7893
0.8552
0.7294
0.7916
0.7283
0.7188
0.7898
0.8543
0.7269
0.7916
0.7334
0.7277
0.7178
0.7906
0.8536
0.7271
0.7924
0.7348
0.7226
0.7158
0.7900
0.8528
0.7260
0.7911
0.7323
0.7179
0.7911
0.8554
0.7258
0.7922
0.7333
0.7272
0.7182
0.7914
0.8524
0.7285
0.7930
0.7293
0.7256
0.6972
0.7345
0.7991
0.8710
0.6945
0.7323
0.7974
0.8668
0.7274
0.8637
0.7213
0.7337
0.8553
0.7323
0.8574
0.9205
0.9202

0.04
0.14
0.72
0.13
0.07
0.29
2.54
0.04
0.27
1.19
0.82
0.77
2.81
0.03
0.16
0.84
0.30
0.12
0.28
2.98
0.01
0.10
0.71
0.27
0.17
0.83
2.64
0.06
0.08
0.77
0.31
0.12
2.63
0.04
0.11
0.74
0.28
0.38
0.10
2.69
0.11
0.31
1.21
0.02
0.16
0.11
0.86
2.93
1.73
3.78
1.40
2.91
1.50
3.40
0.04
1.36
0.07
0.08
1.11
0.12
1.17
1.87
1.78

0.7924
0.8554
0.7220
0.7944
0.7290
0.7207
0.7115
0.7912
0.8554
0.7237
0.7934
0.7246
0.7132
0.7917
0.8541
0.7228
0.7935
0.7304
0.7236
0.7122
0.7926
0.8537
0.7230
0.7943
0.7321
0.7177
0.7100
0.7920
0.8530
0.7218
0.7930
0.7292
0.7123
0.7929
0.8552
0.7216
0.7941
0.7303
0.7230
0.7128
0.7934
0.8526
0.7246
0.7949
0.7259
0.7214
0.6887
0.7318
0.8009
0.8689
0.6854
0.7291
0.7990
0.8652
0.7232
0.8624
0.7163
0.7310
0.8544
0.7291
0.8566
0.9044
0.9042

0.29
0.11
0.16
0.10
0.36
0.89
1.73
0.19
0.28
0.40
0.58
-1.27
2.02
0.20
0.14
0.27
0.07
0.53
0.84
2.17
0.26
0.09
0.15
0.03
0.20
1.49
1.81
0.18
0.05
0.18
0.07
0.54
1.84
0.19
0.09
0.16
0.05
0.03
0.67
1.90
0.14
0.28
0.67
0.22
0.63
0.69
0.37
3.29
1.52
3.53
0.08
3.33
1.29
3.21
0.54
1.51
0.63
0.46
1.21
0.56
1.26
0.09
0.00

0.9194
0.9212
0.9194
0.9204
0.9190
0.9205
0.9208
0.9215
0.9213
0.9196
0.9193
0.9209
0.9219

1.89
1.88
1.62
1.80
1.64
1.94
2.23
2.31
2.29
1.84
1.68
2.37
2.55

0.9035
0.9046
0.9035
0.9043
0.9033
0.9043
0.9044
0.9048
0.9046
0.9036
0.9036
0.9043
0.9049

0.12
0.05
0.14
0.02
0.09
0.14
0.41
0.45
0.44
0.07
0.06
0.53
0.66

0.7933
0.8542
0.7202
0.7948
0.7316
0.7193
0.7124
0.7918
0.8534
0.7217
0.7941
0.7288
0.7144
0.7925
0.8529
0.7212
0.7941
0.7340
0.7212
0.7139
0.7937
0.8529
0.7217
0.7948
0.7354
0.7144
0.7109
0.7929
0.8523
0.7202
0.7937
0.7330
0.7139
0.7941
0.8540
0.7197
0.7948
0.7335
0.7207
0.7139
0.7941
0.8518
0.7236
0.7956
0.7293
0.7207
0.6876
0.7312
0.8012
0.8698
0.6834
0.7284
0.7993
0.8660
0.7260
0.8621
0.7139
0.7349
0.8613
0.7321
0.8628
0.9044
0.9044
0.9056
0.9033
0.9042
0.9039
0.9042
0.9037
0.9039
0.9042
0.9051
0.9046
0.9040
0.9042
0.9044
0.9049

0.41
0.03
0.08
0.15
0.00
1.08
1.85
0.27
0.06
0.12
0.50
-0.69
2.19
0.31
0.00
0.05
0.00
0.04
1.17
2.42
0.40
0.19
0.04
0.04
0.25
1.95
1.94
0.30
0.13
0.03
0.01
0.02
2.07
0.34
0.06
0.10
0.04
0.41
0.98
2.07
0.22
0.37
0.54
0.30
0.17
0.78
0.53
3.37
1.48
3.64
0.22
3.44
1.26
3.31
0.16
1.55
0.96
0.08
0.42
0.14
0.55
0.09
0.03
0.35
0.10
0.00
0.09
0.00
0.05
0.10
0.38
0.48
0.43
0.12
0.00
0.54
0.66

T.A. Albahri / Fluid Phase Equilibria 315 (2012) 113125

121

Table 2 (Continued)
Sample no.

Sample name

Test

SG exp.

Eq. (10)

% error

Eq. (14)

% error

Eq. (15)

% error

154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206

Unit 14 feed VGO


Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 14 feed VGO
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 12 atm.resid
Unit 12 fraction.botto
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O
Unit 20 C.G.O

D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160
D1160

0.9036
0.9018
0.9042
0.9018
0.9024
0.9047
0.9833
0.9396
0.9840
0.9415
0.9833
0.9408
0.9840
0.9390
0.9806
0.9415
0.9786
0.9358
0.9806
0.9415
0.9840
0.9813
0.9792
0.9421
0.9786
0.9402
0.9792
0.9390
0.9765
0.9390
0.8905
0.9224
0.9212
0.9230
0.9248
0.9218
0.9194
0.9206
0.9206
0.9194
0.9206
0.9200
0.9218
0.9206
0.9182
0.9200
0.9218
0.9170
0.9194
0.9206
0.9170
0.9165
0.9206

0.9223
0.9213
0.9225
0.9222
0.9210
0.9215

2.07
2.16
2.03
2.26
2.05
1.85

0.9054
0.9052
0.9053
0.9051
0.9045
0.9047

0.20
0.38
0.12
0.37
0.23
0.00

0.9049
0.9042
0.9046
0.9049
0.9044
0.9048
0.9150
0.9151

0.15
0.26
0.05
0.34
0.22
0.01
6.95
2.60

0.9152
0.9151

6.99
2.54

0.9151

2.80

0.9144
0.9151
0.9151

2.29
6.68
2.80

0.9142

6.84

0.9150

2.87

0.9148

2.70

0.9149

2.56

0.9150
0.8960
0.8973
0.8985
0.8976
0.8982
0.8982
0.8965
0.8960
0.8968
0.8969
0.8966
0.8984
0.8969
0.8978
0.8971
0.8978
0.8975
0.8969
0.8965
0.8985
0.8973
0.8969
0.8975

2.55
0.62
2.72
2.47
2.75
2.88
2.56
2.50
2.67
2.59
2.45
2.61
2.36
2.70
2.48
2.30
2.42
2.64
2.20
2.50
2.40
2.15
2.13
2.51

the curvature of the distillation curve with a correlation coefcient


of 0.9950. Eq. (6) was also capable of tting more complex distillation curves such as those of sample no. 138159 for hydrocracker
gas oil feed which is blended vacuum unit gas oil and delayed coker
gas oil. Polynomial equation was suitable for tting all the different types of distillation curves studied ranging from simple light
fractions to heavy more complex blends with good accuracy.
It is possible to choose a lesser number of pseudocomponents
with equal volume percent for each. For example, one may choose
50 pseudocomponents with two volume percent each. Then the
volume index is calculated at cumulative mid volume percent values of 1, 3, 5, . . ., 99, and so forth. It is also possible to choose unequal
volume percent for each pseudocomponent.
The above pseudocomponent model can be simplied assuming
the whole petroleum fuel comprises ve volume-based pseudocomponent cuts with 20 vol.% each. The mid-volume boiling point
of cuts 1, 2, 3, 4, and 5 are equal to the 10%, 30%, 50%, 70%, and

0.9031
0.9053
0.9083
0.9054
0.9071
0.9074
0.9036
0.9044
0.9043
0.9041
0.9036
0.9082
0.9042
0.9059
0.9054
0.9079
0.9056
0.9045
0.9043
0.9090
0.9051
0.9046
0.9055

1.42
1.85
1.41
1.91
1.91
1.57
1.72
1.76
1.78
1.67
1.85
1.29
1.91
1.60
1.40
1.31
1.76
1.37
1.65
1.26
1.31
1.30
1.64

0.8934
0.8947
0.8962
0.8947
0.8954
0.8960
0.8937
0.8943
0.8939
0.8941
0.8937
0.8966
0.8941
0.8951
0.8947
0.8969
0.8948
0.8942
0.8939
0.8964
0.8945
0.8944
0.8949

0.32
3.00
2.71
3.07
3.19
2.81
2.80
2.86
2.90
2.76
2.92
2.55
3.01
2.77
2.56
2.51
2.94
2.49
2.78
2.63
2.45
2.41
2.80

90% distillation temperatures (T10 , T30 , T50 , T70 , and T90 ). This conveniently utilizes the usually reported ASTM standard 10, 30, 50,
70 and 90 vol.% boiling point temperatures and ignores the IBP and
FBP that are usually not as accurately determinable.
In this case the specic gravity is calculated from Eq. (8) by simply adding the volume weighted (averaged) SG blending indices
(SGVBI)i for the 5 pseudocomponent cuts evaluated at the boiling point temperatures corresponding to the 10, 30, 50, 70, and 90
cumulative mid-volume percentages as follows,
SG =

(xv )i (SGVBI)i ,

where i = 20, 40, 60, 80, 100

(12)

where SG is the specic gravity of the petroleum fuel, xvi is the volume fraction of each pseudocomponent which is 20% or 0.2 volume
fraction and (SGVBI)i is the specic gravity volume blending index
given by the following quadratic equation obtained by regression

122

T.A. Albahri / Fluid Phase Equilibria 315 (2012) 113125


Table 4
Naphtha splitter feed and product description; distillation temperatures ( C) for
feeds, and SG for feeds and products.
Distillation

Feed 1

Feed 2

Feed 3

Distillation IBP
5% recovered
10% recovered
30% recovered
50% recovered
70% recovered
90% recovered
95% recovered
Distillation FBP
Recovery (vol.%)

43
58
62
73
85
97
109
113
118
98.9

45
60
64
76
89
100
112
117
128
98.9

38
47
52
68
84
100
113
120
130
98.9

SG (feed)
SG (light naphtha product)
SG (heavy naphtha product)

0.7040
0.6757
0.7393

0.708
0.6542
0.728

0.7067
0.6692
0.7283

temperature. Applying the above assumption reduces the whole


model to the following single equation with almost the same accuracy as the detailed model,
SG = 0.6183 + 1.07236E 03(T50 ) 9.68E 07(T50 )2
Fig. 3. Parity diagram for the specic gravity of 206 petroleum fuels evaluated using
Eqs. (10) and (11).

from experimental data,


(SGVBI)i = 0.6208 + 1.0386E 03(Tbi ) 8.94E 07(Tbi )2 ,
where i = 10, 30, 50, 70, 90

(13)
in C

correwhere Tbi is the ASTM D86 boiling point temperature


sponding to 10, 30, 50, 70, and 90 vol.% vaporization of the sample.
Calculating the (SGVBI)i at 10, 30, 50, 70, 90 vol.% temperatures
then substituting into Eq. (12), the nal expression for the specic
gravity of the petroleum fuel in terms of the ASTM D86 boiling point
temperatures is given by the following expression with almost the
same accuracy as the detailed model,
SG = 0.6208 + 2.0772E 04(T10 + T30 + T50 + T70 + T90 )
1.788E 07[(T10 )2 + (T30 )2 + (T50 )2 + (T70 )2 + (T90 )2 ] (14)
The predicted specic gravities using Eq. (14) for the above
petroleum fuels contrasted against experimental data with a correlation coefcient of 0.991 and an average absolute average
deviation and error of 0.0038%, and 0.93%, respectively. The maximum deviation and error were 0.0296% and 3.53%, respectively.
This accuracy is better than that of any other method available in
the literature as shown in Table 3.
Eq. (14) is useful when complete boiling point distribution is
available and excessive computation is not desirable. Calculations
can be done by hand or using pocket calculator without the need
for a computer.
The above model can be further simplied by assuming the
whole petroleum fuel as one pseudocomponent cut with 100 vol.%
and a mid-volume boiling point equal to the 50% distillation
Table 3
Comparison for prediction methods for SG of petroleum fuels.
Method

Average %
error

Maximum
% error

Riazi [7]
Valderrama and Abu-Sharkh [9]
Al-Mehaideb et al. [12]
Albahri (proposed method; Eq. (14))
Albahri (proposed method; Eq. (15))

2.2
3
1.8
0.93
0.87

5.7
5
4.82
3.53
3.64

(15)

where, SG is the specic gravity of the petroleum fuel and T50 is


the ASTM D86 boiling point temperature in C corresponding to
50 vol.% vaporization of the sample.
The predicted specic gravities for the above petroleum fuels
using Eq. (15) compared against the experimental data with a correlation coefcient of 0.991 and an average absolute deviation and
error of 0.0033% and 0.87%, respectively. The maximum deviation
and error were 0.0306% and 3.64%, respectively. Again this accuracy
is better than that of any other method available in the literature
as shown in Table 3.
Eq. (15) is useful when complete boiling point distribution is
not available. The 50 vol.% temperature may be approximated by
averaging the initial and nal boiling point temperatures. Although
Eqs. (14) and (15) are comparable in terms of average percentage
error and correlation coefcient, the former is more preferred when
complete boiling point distribution is available.
4.2. SG of fuel fractions
The method is further tested for its ability to forecast the
SG of portions of a petroleum fraction cut from the parent fuel.
For that purpose experimental data from an industrial naphtha
splitter feeds and products shown in Table 4 were used. The feeds
for the distillation column were de-butanized naphtha from a
hydrocracker process at Kuwait National Petroleum Company
with a ow rate of 9300 BPD. The light naphtha product is 4450
BPD and the heavy naphtha product is 4870 BPD. The light and
heavy naphtha products are therefore 47.6% and 52.4% by volume
of the feed, respectively. Eqs. (8) and (11) are used to calculate the
specic gravity for the light naphtha cut from 0 to 47.6 vol.% and
for the heavy naphtha cut from 47.6 to 100 vol.%.
The results and errors for the three cases are shown in Table 5.
The method predicted the SG for both cuts with a percentage error
of 3% or less for all cases but one. The case for light naphtha product from Feed 2 shows an error of 6.97% which is believed to be
due to an error in the experimental value of the SG. Table 5 further
shows that the calculated SG values for the light naphtha products
are slightly over estimated while the same for the heavy naphtha products are slightly underestimated. The method in general
is more accurate than the API adopted method which is reported to
occasionally produce serious errors [17]. The method is also noticed
to be more accurate in the in predicting the SG for heavy naphtha
than light naphtha.

T.A. Albahri / Fluid Phase Equilibria 315 (2012) 113125

123

Table 5
Comparison of model predicted SG with experimental for light and heavy naphtha cuts using naphtha feed distillation temperatures.
Light naphtha

Feed 1
Feed 2
Feed 3

Heavy naphtha

SG (exp.)

SG (est.)

% error

SG (exp.)

SG (est.)

% error

0.6757
0.6542
0.6692

0.6976
0.6998
0.6923

3.2
6.97
3.4

0.7393
0.728
0.7283

0.7197
0.7221
0.7220

2.6
0.80
0.87

Another way to forecast the SG of portions of a petroleum fraction cut from the parent fuel is by using Eq. (1) which can be
rewritten in the following form in terms of volume percent instead
of mole fraction, and property volume blending index (V) instead
of the properties of the pure components (x),

 V2

=

V1

(V ) dV
(16)

(V2 V1 )

Applying the same to the specic gravity,

 V2

SG =

V1

SGVBI(V ) dV
(V2 V1 )

(17)

For the complete distillation range for the whole petroleum fraction V1 = 0 and V2 = 100, then above equation becomes,

 100

SG =

SGVBI(V ) dV
100

(18)

Using Eq. (9) in linear form instead of quadratic for simplicity


for later integration, the SGVBI in terms of boiling point is given by
the following,
SGVBI(Tb ) = 0.6594 + 6.31 104 Tb

(19)

Then by tting the ASTM D86 distillation curve (boiling points


Tbi s vs. cumulative volume percents Vis obtained experimentally),
using Eq. (6) for easy integration, gives the boiling point distribution
in terms of liquid volume percent distilled for naphtha Feed 1 as
follows,
Tbi (V ) = 45.7151 + 1.989Vi 0.0493Vi2 + 6.27 104 Vi3
2.626 106 Vi4

(20)

Combining Eqs. (18)(20) and integrating, the following expression is obtained for the SG of the naphtha feed,

SGcut =

 100

SGheavy =

47.5

SG(V ) dV

(100 47.5)

(23)

Integration of Eq. (23) using Eqs. (19) and (20) leads to the same
expression as that of Eq. (21). To calculate the SG for the heavy
naphtha product the initial and nal volume percent are used;
V1 = 47.5 and V2 = 100 (which is the vol.% of the heavy naphtha). The
SG is estimated as 0.7215 which is 2.4% less than the experimental
value of 0.7393 shown in Table 4.
Higher errors obtained in this case may have been due to the
simplifying approximation using linear instead of quadratic function for the SG volume blending index using Eq. (19) in addition to
the conventional inaccuracy in the experimental determination of
the boiling point distribution closer to the initial and nal boiling
point regions of the boiling point diagram. However, this method is
more accurate than the API adopted method which is not only more
complicated but is also reported to occasionally produce serious
errors, because of the lack of standardization and other inherent
inadequacies in the API method due to insufciently precise or
consistent data to develop good correlations [17].
The above procedure can be applied to predict other properties of the petroleum fraction such as the freezing point, the Reid
vapor pressure, the molecular weight, and the like, and in particular to predict the mass, mole or volume specic properties such
as enthalpy, heat capacity, molecular weight, heat of combustion,
heat of vaporization by calculating through regression from appropriate experimental data the values of the constants of Eq. (9); a, b,
and c or any other appropriate equation including non-quadratic.
The boiling point distribution may as well be the true boiling point
distribution or any boiling point distribution obtainable from a distillation device, a gas chromatograph, or infrared spectroscopy or
the like since inter-conversion between these is well established in
the literature or can be easily developed.

0.6882 (V2 V1 ) + 6.2755 104 (V22 V12 ) 1.0367 105 (V23 V13 ) + 9.891 108 (V24 V14 ) 3.314 1010 (V25 V15 )

(V2 V1 )

To calculate the SG for the whole naphtha feed, we use V1 = 0


and V2 = 100. Then SG calculated from Eq. (21) is 0.7130 which is
only 1.286% higher than the experimental value of 0.704 shown in
Table 4.
For the lighter cut of the naphtha (light naphtha product) the SG
is calculated using Eq. (17) in the following form

 47.5
SGlight =

For the heavy cut of the naphtha (heavy naphtha product) the
SG is calculated using Eq. (17) in the following form

SGVBI(V ) dV
47.5

(21)
One practical advantage of the present method is that it can
be incorporated into any standard ASTM distillation test apparatus
to provide accurate measure of the various properties of petroleum
fractions. As such the properties of petroleum fractions can be accurately measured from a small volume of oil sample in a short period
of time with less cost and energy for the analysis. The distillation
apparatus may comprise a computer equipped with the property
estimation model for evaluating the property value outputted from
the property estimation model.

(22)

Integration of Eq. (22) using Eqs. (19) and (20) leads to the same
expression as that of Eq. (21). To calculate the SG for the light naphtha product the initial and nal volume percent are used; V1 = 0 and
V2 = 47.5 (which is the vol.% of the light naphtha). The SG is estimated as 0.7035 which is 4% higher than the experimental value of
0.6767 shown in Table 4.

5. Conclusions
The objective of this work was to develop a theoretically based
method to characterize undened multicomponent mixtures such
as petroleum fuels in a simple mathematical correlation that
would allow for accurate prediction of the physical and chemical properties of such fuels utilizing a single test (the ASTM D86

124

T.A. Albahri / Fluid Phase Equilibria 315 (2012) 113125

distillation), which has found wide acceptance in renery daily


operation on a routine basis, such that only the boiling point
temperatures of petroleum fuel is required which is very convenient for research and industry alike. The method is based on
a theory that the shape of the boiling point distribution curve
of a petroleum fuel is representative of the components within
and can be used to calculate its properties. The fuels ASTM D86
distillation temperature-distribution is divided into equal-volume
pseudo-component cuts each of which is assigned a property volume blending index the aggregation of which provides an accurate
estimation of the global property of the whole petroleum fuel, or
portions thereof.
The method predictive ability is demonstrated by developing simple correlations that were able to predict the SG of 206
petroleum fuels with an average percentage error of about 0.87%
which is more accurate than other published methods as shown
in Table 3. Several correlations are developed based on the fuels
available boiling temperatures with the mid boiling point being
the minimum requirement.
The method was further used to predict the SG of light and
heavy naphtha split from the parent fuels boiling temperatures.
Results were in excellent agreement with experimental data for all
cases with an average error of 3.2% which is more accurate other
published methods.
The proposed correlations eliminate the need for additional
input parameters required by other methods which makes the prediction of uid properties simple and straight forward. The method
is useful when distillation temperatures are available with the API
data are missing and further experimentation is not feasible. The
method can be used to develop other correlations to predict any
property as well and in particular specic properties.
ASTM distillation test provides breadth of information about
the inherent components in petroleum fuels which when coupled
with an appropriate mathematical model can be used to predict
the properties of undened multicomponent mixtures such as
petroleum fuels and oil fractions. The method has many practical
applications; for example it can be incorporated as a program code
in the ASTM distillation apparatus to predict various properties of
petroleum fuels and especially specic properties. It can further
be incorporated in simulation programs like ASPEN to predict the
API gravity of the various streams quickly and easily. The correlative procedure can be adopted to any type of distillation method
as required and can further be used to predict the properties of
fractions of a petroleum fuel when distillation temperatures are
available.
Although the equations developed herein using ASTM D86 and
D1160 tests, with results for D1160 having slightly higher errors
in the range of 2%, the method is not limited to ASTM D86 characterized uids, but it can be applied to other distillation tests and
similar equations can be developed when data are available.
The method can be used for uids rich in sulfurs as well as uids
low in sulfur with comparable accuracy as can be seen from the
errors in Table 2 for unit 12 low sulfur naphtha and diesel products,
and units 15, 16, and 17 desulfurized naphtha, kerosene, and diesel
products, compared to Unit 11 un-desulfurized naphtha, kerosene,
and diesel which are raw products from the crude oil distillation
unit.
The methods predictions for saturated naphtha feeds, unsaturated naphtha feeds and desulfurized naphtha products from unit
17 were comparable indicating that the internal structural may
not have a profound effect on models prediction accuracy. Due to
the lack of experimental data, the methods applicability to highly
aromatic, naphthenic, or parafnic uids has not been veried.
Compared to Eqs. (14) and (15), Eq. (10) requires the petroleum
oils complete ASTM distillation curve to be available. Eq. (14)
produces better accuracy in terms of correlation coefcient and

average % error than Eq. (10) requiring only the boiling point temperatures at 10, 30, 50, 70, and 90 vol.% vaporized of the sample.
Eq. (15) produces comparable accuracy to Eq. (14) but requires only
the middle boiling point temperature (at 50 vol.% vaporized), however, the equations predictions for heavy oils such as unit 12 feed
(high sulfur atmospheric residue) and unit 12 fractionator bottoms
(desulfurized residue) were not accurate enough to generalize the
method to such heavy oils.
Out of all the equations discussed, Eqs. (14) and (15) are more
recommended because they are more accurate and simpler to use
than Eq. (10) with Eq. (15) more favorable when only the mid boiling point is available. Calculating the specic gravity using Eq. (14)
or (15) require only a hand calculator whereas calculating the same
using Eq. (10) requires a computer. For all Eqs. (10), (14) and (15)
the recommended ranges for the IBP, FBP, and SG are 32308 C,
93538 C, and 0.68490.9248 respectively. For Eq. (15) the method
was further tested to higher SG, IBP, FBP of 336 C, 566 C, and
0.9840 respectively, but with higher error (6%). Caution should
be practiced because the method has not been tested outside the
recommended ranges.
List of symbols
xi
increment size of pseudocomponent i on the distillation
curve
API
API gravity
FBP
nal boiling point
IBP
initial boiling point
n
total number of pseudocomponents in the petroleum fuel
PVBI
property volume blending index
RVP
Reid vapor pressure
SG
standard specic gravity for liquid at 15 C
SGVBI
Specic gravity volume blending index
mid-volume boiling point at the10% distillation temperT10
ature
T30
mid-volume boiling point at the 30% distillation temperature
mid-volume boiling point at the 50% distillation temperT50
ature
T70
mid-volume boiling point at the 70% distillation temperature
mid-volume boiling point at the 90% distillation temperT90
ature
boiling point temperature on petroleum fuels curve corTbj
responding to mid volume percent of pseudocomponent
j
TBP
true boiling point curve
V
volume of pseudocomponent
x
mole fraction
xv
volume fraction

any thermo-physical property
(x)
property value at x volume percent
i (x)
property value of pseudocomponent i
j
cumulative volume fraction at the mid-volume percent of
component j on the TBP curve
Acknowledgments
This work was done during sabbatical leave sponsored by
Kuwait University. Experimental data were obtained from Kuwait
National Petroleum Company.
References
[1] American Petroleum Institute, in: R.P. Daubert, T.E. Danner (Eds.), API Technical
Data BookPetroleum Rening, API, Washington, DC, 1989.

T.A. Albahri / Fluid Phase Equilibria 315 (2012) 113125


[2] EPCON International, The American Petroleum Institute, API Technical
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[3] American Standards for testing and materials ASTM D287-92(2006) Standard
Test Method for API Gravity of Crude Petroleum and Petroleum Products
(Hydrometer Method). ASTM Book of Standards, volume: 05.01, 2006.
[4] M.R. Riazi, T.A. Al-Sahhaf, Fluid Phase Equilibria 117 (1996) 217224.
[5] M.R. Riazi, Industrial and Engineering Chemistry Research 36 (1997)
42994307.
[6] M.R. Riazi, G.A. Mansoori, Oil & Gas Journal 91 (1993) 108111.
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