L o g o

Compositional
Simulation
Applications
Black oil models
Immiscible flow
Hydrocarbon phase has fixed composition of
two component oil and gas
Fluid properties are a function of pressure
Fluid properties are a function of pressure and
solution gas
Applications
Compositional gas models
Significant mass transfer between oil and gas
phases
Fluid properties are dependent on pressure
and composition
Examples processes
Volatile oil reservoir depletion
Gas condensate reservoir depletion
Gas cycling
Miscible flooding by CO
2
or enriched gas
injection
Compositional Models
Fussell and Fussell (1978)
Coats (1980) : Fully implicit
Nghiem et al. (1981) : IMPES-type
Young and Stephens (1983)
Acs et al. (1985) : IMPEStype
Watts (1986) : Sequential implicit
Collins et al. (1986) : Adaptive implicit
Formulations
IMPES Type
Solve pressure and saturation separately
Adaptive implicit
In each time step solve few gridblocks
implicitly and the rest explicitly
Fully implicit
Solve for pressure, saturation, and
composition simultaneously
Applications
Compositional chemical models
Injection of of liquid chemicals to displace oil
Phase behavior
Reduction in interfacial tension between oil
and liquid
Example processes are
Surfactant/polymer
Surfactant/alkaline/polymer
Surfactant/foam
Displacements
Immiscible flow under reservoir conditions
fluids with different properties mix
Displacement of oil by miscible or partially
miscible fluids
Displacement using chemicals that can
affect fluid properties
Non isothermal flow or combustion reaction
Displacements
Miscible
Two or more components flow within a
single phase
Flow of oil by solvent
Transport of salts
Polymer
Tracers
Contaminant in water
Commercial Compositional Gas Reservoir Simulator
VIP (Landmark Graphics)
Eclipse 300 (Geoquest)
CMG-GEM (Computer Modeling Group)
Simbest (Formerly SSI and now Bakers)
Oil Reservoir Simulator
Black oil model for immiscible
processes
Miscible black oil model for first
contact miscible process where
injected fluid is directly miscible with
oil at reservoir pressure and
temperature
Reservoir Simulators
Compositional gas models for multiple
contact miscible displacements
Inject CO
2
to mobilize and displace residual
oil saturation through multiple contacts
between oil and CO
2
phases
Intermediate and higher molecular weight
hydrocarbons are contacted into the CO
2
rich phase
Under proper conditions CO
2
becomes
miscible with the original reservoir oil
Reservoir Simulators
Compositional chemical models for
chemical flooding processes
Thermal models for steam flooding and
in situ combustion
Mathematical Models
Isothermal conditions
No flow boundary
Permeability tensor is orthogonal and aligned with
the coordinate system
No precipitation or chemical reaction
Negligible adsorption
Physical dispersion follows Ficks law
Water is treated as a separate component present
only is water
No mass transfer between water and oil or gas
phases
Hydrocarbon phase compose of n
c
hydrocarbon
components which may include nonhydrocarbons
such as CO
2
, N
2
, or H
2
S
Assume instantaneous thermodynamic equilibrium
between hydrocarbon phases
Mass Conservation Equation
term Source R
Flux F
on Accumulati W
R F
t
W
i
i
i
i i
i
=
=
=
= V +
c
c
0

Mass Conservation Equation
j phase in i component of fraction mole x
j phase for saturation S
j phase for density molar
porosity
x S W
ij
j
j
ij j
n
j
j i
p
=
=
=
=
=

=
,
|
, |
1
Accumulation term
Mass Conservation Equation
1 1 1
2
,........ 1
S W
and
n hydrocarbo n i x S W
c
p
n
c
n
j
ij j j i
|,
, |
=
= =
+
=

Since there is no hydrocarbon component in the water phase

Accumulation term
Mass Conservation Equation
Phase Index
J = 1 water
J = 2 Oil
J = 3 Gas
Mass Conservation Equation
Flux Term
ij ij j j j ij
n
j
j i
x K S u x F
p
V =

=

|, ,
1
Convective Flux Dispersive Flux
Mass Conservation Equation
( )
Depth D
j phase of weight specific
j phase of ity cos vis
ty permeabili relative k
mobility relative
ty Permeabili K
D P k u
j
j
rj
k
rj
j j rj j
j
rj
=
=
=
=
|
.
|

\
|
=
=
V V =

Darcy's law
Mass Conservation Equation
1 c c
b
i
i
n , n ,..... 1 i
V
q
R
+
= =
Source term:
V
b
= Bulk volume
q
i
= Molar flow rate of component i
producer : negative value
Injector : Positive value
Physical Dispersion
Diagonal terms
zz
ij
yy
ij
j
2
zj
j
Tj
j
2
yj
j
Tj
j
2
xj
j
Lj ij
xx
ij
K and K for terms Similar
u
u
S
u
u
S
u
u
S
D
K
|
o
+
|
o
+
|
o
+
t
=
zz zy zx
yz yy yx
xz xy xx
ij
K K K
K K K
K K K
K =

ty dispersivi Transverse
ty dispersivi al longitudin
tortuosity
dispersion molecular D
T
L
ij
= o
= o
= t
=
Physical Dispersion
Off Diagonal terms
2
zj
2
yj
2
xj j
zy
ij
yz
ij
zx
ij
xz
ij
yx
ij
xy
ij
j
yj xj
j
Tj Lj
xy
ij
u u u u
where
K K
K K
K K
u
u u
S
K
+ + =
=
=
=
|
o o
=

L o g o
Compositional
Simulation
Mass Conservation Equation
Set of coupled, nonlinear, partial differential
equations with n
c
n
p
+6n
p
+2 variables
1 , ,......... 1
0
1 1
+ =
=
|
.
|

\
|
V V +
|
.
|

\
|
c
c

= =
c c
b
i
n
j
ij ij j j j ij j
n
j
ij j j
n n i
V
q
x K S u x x S
t
p p

| |
Pressure Equation
Acs et al. formulation where total fluid volume is
equal to the pore volume
) ( ) , ( P V N P V
p t
=
t
P
P
V
t
N
N
V
t
P
P
V
p
n
i
i
i k N P
i
t
N
t
c
k
i
c
c
c
c
=
(

c
c
|
|
.
|

\
|
c
c
+
(

c
c
|
.
|

\
|
c
c

+
=
=
1
1
) ( ,
( ) | |
ref f ref
P P c + = 1 | |
f
ref
p
p
c V
P
V
=
c
c
Pressure Equation
From mass conservation equation, we have
ij
n
1 j
j j b i
c c
i
n
1 j
ij ij j j j ij j b
i
x S V N where
1 n , n ,......... 1 i
0 q x K S u x V
t
N
p
p

=
| =
+ =
=
|
|
.
|

\
|
V | V +
c
c

Define partial molar volume as

) ( , i k N P
i
t
ti
k
N
V
V
=
|
|
.
|

\
|
c
c
=
Pressure Equation
Neglect physical dispersion and
cj j
P P P + =
( )

+
=
+
= =
+
V V V =
|
.
|

\
|
c
c
|
.
|

\
|
c
c

1
1
1
1 1
c
c
p
n
i
i ti
n
i
n
j
j cj ij j rj ti b
t
f
ref
p
q V
D P x k V V
t
P
P
V
c V
Initial conditions: known pressure and known no. of moles
for each component
Boundary conditions : No flow boundary
Variables No. of variables
| 1
S
j
n
p

ij
n
p
x
ij
(n
p
-1)n
c
K
rj
n
p

j
n
p
P
j
n
p

j
n
p
q
i
n
c
+1
Total n
c
n
p
+6 n
p
+2
List of Variables
Equations Name No. Of Eq.
Mass conservation n
c
+1
f
ij
= f
il
Phase equilibrium n
c
(n
p
-2)
Saturation constraint 1
Phase composition
constraint
n
p
-1
Formation porosity 1
Equation of State n
p
Equation of State n
p
Viscosity n
p
1
1
=
=
p
n
j
j
S
1
1
=
=
c
n
i
ij
x
( ) P | | =
) , (
) (
1 1
j j j
x P
P


=
=
) , (
) (
1 1
j j j
x P
P


=
=
) , (
) (
1 1
j j j
x P
P


=
=
Number of Equations
Equations Name No. Of Eq.
Phase
Relative permeability n
p
Phase pressure n
p
-1
Well model n
c
+1
Total
n
c
n
p
+6 n
p
+2
) , , ( x S P k k
rj rj
=
) , ( x S P P
j j
=
) , , ( x S P q q
i i
=
Number of Equations
IMPES Computational Procedure
Establish initial conditions
Phase saturation
Component moles
Viscosity
Density
Relative permeability
Capillary pressure
Original in place
Fluid volume
IMPES Computational Procedure
1. Solve pressure equation implicitly using
explicit saturation and phase composition
dependent properties
2. Compute flow rate and bottomhole pressure
for wells
3. Solve mass balance equation explicitly for
component mole number and overall
hydrocarbon composition
4. Solve for phase equilibrium and hydrocarbon
phase saturation
IMPES Computational Procedure
5. Compute phase densities
6. Calculate phase viscosities
7. Calculate phase relative
permeabilities
8. Compute capillary pressures
Special Case
2 hydrocarbon oil and gas phases
No physical dispersion
Use Darcys law
j rj j
k u u V =
Special Case
Water equation is the same as
black oil model
|
|
.
|

\
|
c
c
= +
|
|
.
|

\
|
u V V
w
w
w w
w
w
B
S
t
q
B
|
Mass balance for component i
( ) ( ) | |
g g i o o i i g g g i o o o i
S y S x
t
q y x + |
c
c
= + u V + u V V
cow cog g w
w cog g w o cow
cog g o o g cog
g
j j j
P P P P
P P P P P P
P P P P P P
P P
D P Substitute
=
= =
= =

V V = u V
Reference phase
Special Case
Interfacial Tension
Water and hydrocarbon phases = constant
Hydrocarbon phases (Macleod Sugden)
( )
tension erfacial int gas / oil
i component of Parachor
y x 016018 . 0
og
i
n
1 i
i g i o i og
c
= o
=
(
(

= o

=
Physical Properties
Relative permeability
Function of phase saturation
and interfacial tension
Capillary pressure
Function of phase saturation
and interfacial tension
( )
jl j cjl
S f P o , =
( )
jl j rjl
S f k o , =
Physical Properties
Molar density
RT Z
P
v
1
j j
j
= =
Mass density
gas or oil j W x
c
n
1 i
ti ij j j
=

=
=
Where W
ti
is the molecular weight of component i
water
ref
P P c
(

|
.
|

\
|
+ =
1 1 1
1
1 1

Physical Properties
Phase viscosity using linear mixing rule
gas or oil j x
i
n
i
ij j
c
= =

=

~
1
Where
i
~

is the pure component viscosity

Phase Behavior
Peng-Robinson Equation of State
( ) ( ) b v b b v v
) T ( a
b v
RT
P
+ +

=
a and b are constants computed as a function of
critical properties.
Compressibility factor:
RT
PV
z =
( ) ( ) ( )
( )
RT
bP
B
RT
aP
A
0 B B AB Z B 2 B 3 A Z B 1 Z
2
3 2 2 2 3
=
=
= +
Critical Properties
Comp. Composition P
(psi)
T
(R)
V
ft
3
/lbmole
MW Accentric
factor
Parachor
CO
2
0.05 1073 547 1.5 44 0.23 49
C
3-6
17.8 476 848 5.0 73 0.25 60
C
7
15.5 453 985 6.0 96 0.28 100
C
8
32.35 430 1040 8.8 102 0.30 300
Binary Interaction Coefficients
CO
2
C
3-6
C
7
C
8
CO
2
0.0
C
3-6
0.12 0.0
C
7
0.12 0.0 0.0
C
8
0.12 0.0 0.0 0.0
Phase Behavior
100% bubble
point curve
Bubble
point
Dew point
Liquid + vapor
Vapor
T
P
P
C
T
C
Phase Behavior
2 phase
1 phase
Methane
C
7
+
C
2
-C
6
Tie line
Plait point
Binodal curve
T, P = constant
Ternary Diagram
Plait point
Binodal curve
Tie line
CO
2
C
13+
C
5-12
L o g o
Three and Four Phase Flow
Compositional Gas Simulations
Phase Diagram
Liquid/
Liquid/
Vapor
0
500
1000
1500
2000
2500
3000
0.0 0.2 0.4 0.6 0.8 1.0
Mole Fraction of CO
2
/NGL
P
r
e
s
s
u
r
e

(
p
s
i
)
Liquid
Liquid/Liquid
Liquid/Vapor
Permeability Field
100 200 300 400 500 600 700 800 900 1000
Length (ft)
-55
-50
-45
-40
-35
-30
-25
-20
-15
-10
-5
0
E
l
e
v
a
t
i
o
n

(
f
t
)
0
50
100
150
200
250
300
350
400
450
500
550
600
650
700
Permeability
(md)
Injector
Producer
Phase Viscosities
0.01
0.1
1
10
100
1000
0 200 400 600 800 1000
Length, ft
V
i
s
c
o
s
i
t
y
,

c
p
Oil Viscosity (4-Phase Flow)
Gas Viscosity (4-Phase Flow)
Second HC Liquid Viscosity (4-Phase Flow)
Oil Viscosity (3-Phase Flow)
Gas Viscosity (3-Phase Flow)
Phase Densities
0
10
20
30
40
50
60
0 200 400 600 800 1000
Length, ft
D
e
n
s
i
t
y
,

l
b
m
/
c
u
f
t
Oil Density (4-Phase Flow)
Gas Density (4-Phase Flow)
Second HC Liquid Density (4-Phase Flow)
Oil Density (3-Phase Flow)
Gas Density (3-Phase Flow)
Number of Phases
0 100 200 300 400 500 600 700 800 900 1000
Length,ft
-55
-50
-45
-40
-35
-30
-25
-20
-15
-10
-5
0
E
l
e
v
a
t
i
o
n
,
f
t
2
3
4
0
0.05
0.1
0.15
0.2
0.25
0.3
0.35
0.4
0.45
0 182.5 365 547.5 730
Total Injection Time (Days)
C
u
m
u
l
a
t
i
v
e

O
i
l

R
e
c
o
v
e
r
y

(
F
r
a
c
t
i
o
n

o
f

O
O
I
P
)
4-phase flow (Run 4p2dh3b4)
3-phase flow (Run 3p2dh3b4)
Comparison of three and four phase flow results
SPE 89343
Reservoir Simulation of CO
2
Storage in
Deep Saline Aquifers
A. Kumar, M. Noh, G.A. Pope, K. Sepehrnoori,
S.L. Bryant and L.W. Lake.
Center for Petroleum & Geosystems Engineering,
The University of Texas at Austin.
Carbon Sequestration
CO
2
Deep Saline Aquifer
Aquifer/Depleted
Oil or Gas Reservoir
Oil/Gas Producing Reservoir
Unmineable Coal
CO
2
Deep Saline Aquifer
Aquifer/Depleted
Oil or Gas Reservoir
Oil/Gas Producing Reservoir
Unmineable Coal
Evaluate Storage Potential of Aquifers
CO
2
Brine Dissolution Traps Significant CO
2
Volume




1000 Years 50 Years
CO2 mole
fraction in
aqueous phase
0
20
40
60
80
100
0 200 400 600 800 1000
Time, years
C
O
2

S
t
o
r
e
d

i
n

V
a
r
i
o
u
s

P
h
a
s
e
s
,

%
CO
2
Capture
Percentage CO2
as Residual Gas
Percentage CO2 in
Aqueous Phase
Percentage CO2
as Free Gas
Injection
ends
L o g o
SPE 80253
Effect of Dispersion on Transport and
Precipitation of Barium and Sulfate In Oil
Reservoirs
2003 SPE International
Symposium on Oilfield
Chemistry
February 5-7, 2003
Houston, Texas
Objectives
Determine sensitivity to sulfate concentration
in injected seawater for 150-300 ppm barium
concentration in formation brine
Estimate how much sulfate will need to be
removed from injected water
Determine sensitivity to dispersion and mixing
in reservoir
Determine how much solid precipitates in
reservoir and in wellbore
Reservoir Model Description
Three - dimensional
22x40x22 (19,360 gridblocks)
Pore volume
123 million m
3
(774 million bbls)
OOIP
6 million m
3
(38 million bbls)
4 vertical injectors, 3 slanted producers
10-year simulation
Water Analysis
Ion Formation Water, Mg/L Injected Seawater, Mg/L
Na
+
37,400 11,400
K
+
329 400
Ca
++
3,067 435
Mg
++
1,114 1,370
HCO3
-
1,029 0
Cl
-
62,380 20,500
Li
+
3.4 0
Sr
++
153 0
Ba
++
151 0
Fe 1.7 0
B 41 0
Br
-
325 0
SO4
--
0 2,800
Simulation Variables
Initial Barium ion concentration (ppm)
151 and 300
Physical longitudinal dispersivity (m)
100, 12, 0 (only numerical dispersion)
Injected sulfate ion in water (ppm)
2800 ( seawater), 200, 120, 80, 40, 20
Simulation Grid
Vertical exaggeration = 3
Permeability Distribution
1
5
0

m
Permeability, md
1 50 100+ 25 75
Permeabilities from 100 to 3720: red
Permeabilities below 20: transparent
Barium, mole/L
0.0000 0.0010 0.0020 0.0005 0.0015
Barium Ion Concentration
Barium ion concentrations less than 0.0007 are transparent
After One Year of
Seawater Flooding
After Ten Years of
Seawater Flooding
Initial Ba
++
= 300 ppm
Dispersivity = 12 m
2800
200
120
80
40
20
100
12
0
0
50
100
150
200
250
300
350
400
Initial Barium
Concentration = 300 ppm
Total Barium Sulfate Precipitated in Wells
Mass of Barium Sulfate Precipitated in Formation
0
500
1000
1500
2000
2500
3000
3500
4000
0 1000 2000 3000 4000
Time, days
M
a
s
s

o
f

P
r
e
c
i
p
i
t
a
t
e
,

t
o
n
s
0 m
12 m
100 m
Dispersivity
120 ppm SO
4
--
and 151 ppm Ba
++