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Energy Procedia 63 (2014) 3483 3491

GHGT-12

Artificial Neural Network based surrogate modelling for multiobjective optimisation of geological CO2 storage operations
Indranil Pan, Masoud Babaei, Anna Korre, Sevket Durucan*
Department of Earth Science and Engineering, Royal School of Mines, Imperial College London, London SW7 2BP, United Kingdom

Abstract
An Artificial Neural Network surrogate modelling approach was used to optimise CO2 storage into a highly heterogeneous semiclosed saline aquifer which exhibits considerable pressure increase due to injection. The methodology was implemented to
minimise the overall field pressure and well bottom-hole pressures, and to maximise the amount of dissolved and trapped CO2 in
the storage aquifer. Different realisations of permeability and porosity were stochastically generated to represent the uncertainty
in the model. Artificial neural networks were used to reduce the computational time of the optimisation procedure by
approximating the objective functions for CO2 storage as surrogates to the expensive solutions of flow by the simulator. A multiobjective evolutionary algorithm was run on these approximators to generate solutions of the multi-objective optimisations
Pareto front. These solutions were compared with the solutions obtained by the computationally expensive optimisation and they
were found to give satisfactory results, illustrating that this methodology can be a viable, and low computational cost alternative
for optimisation in CO2 storage design.
2014 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license
2013 The Authors. Published by Elsevier Ltd.
(http://creativecommons.org/licenses/by-nc-nd/3.0/).
Selection and peer-review under responsibility of GHGT.
Peer-review under responsibility of the Organizing Committee of GHGT-12
Keywords: Neural network; multi-objective optimisation; CO2 storage; surrogate modelling

1. Introduction
The problem of pressure build up in CO2 storage operations is a restricting factor for large-volume CO2 injection,
especially for closed or semi-closed aquifers [1]. The storage capacity may be significantly limited due to rapid

* Corresponding author. Tel.: +44-20-7594-7354; fax: +44-20-7594-7444.

E-mail address: s.durucan@imperial.ac.uk

1876-6102 2014 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license
(http://creativecommons.org/licenses/by-nc-nd/3.0/).
Peer-review under responsibility of the Organizing Committee of GHGT-12
doi:10.1016/j.egypro.2014.11.377

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pressure buildup or overpressure during CO2 injection which can cause the injection rate to decline exponentially.
For the safe and secure long-term CO2 injection it is imperative to consider the risks of increased pressure which
may compromise caprock integrity, induce reactivation of critically stressed faults, drive CO2 and/or brine through
conductive features into shallow ground water resources, thereby risking contamination of potable drinking water or
affecting existing subsurface activities such as oil and gas production [2]. Therefore, it will be necessary to control
the pore pressure to avoid the scenario in which the pressure increase propagates too far from the injection point [3].
In order to control the reservoir pressure, McCoy and Rubin [4] implemented a screening model which assumes
that the injection rate is limited only by the fracture pressure of the reservoir and the operator will always choose to
inject CO2 at a rate such that the bottomhole pressure (BHP) does not exceed the formation fracture pressure. There
are, however, various values for suggested fracture pressure limits in the literature and the allowable maximum
pressure increase has to be assessed on a case-by-case basis [5].
Numerical modelling methods, on the other hand, estimate pressure buildup and injection pressure using
reservoir simulators [6, 7]. Numerical modelling is more widely applicable than the analytical methods because the
various flow dynamics including multi-phase flow, density-dependent flow, heat transfer, ground-water
hydrodynamics, CO2 dissolution kinetics and geochemical reactions can be fully described by the finite-element or
finite-difference discretisation of the partial differential equations. Most importantly, numerical models take into
account heterogeneity of the subsurface model which is an important parameter influencing the flow behaviour and
pressure distribution in the model [8].
As the subsurface models may contain a large number of unknowns, numerical computations tend to become
intensive and inefficient. For the design and optimisation of CO2 storage operations there will also be a need to
perform multiple simulations to account for unavoidable uncertainties in the geological or flow models. This also
adds to the computational burden. In such cases, the use of fast running surrogate models of the subsurface system is
desirable. The surrogate models can be constructed by sparse sampling of the computationally expensive system and
are required to generalise well to the other unsampled locations. The flow solutions by surrogate models can
generally be obtained orders of magnitude faster than that by the original flow simulators. The surrogate models can
be polynomial or kriging models, neural networks or support vector regressors. A survey of these techniques can be
found in Jin [9].
The surrogates are also very helpful in optimisation problems, where an objective function needs to be evaluated
multiple times. If each evaluation of the objective function takes a long time, then the optimisation itself becomes
intractable. Particularly, black box simulators can be used by population-based evolutionary techniques in parallel.
However, in cases where there are hardware constraints (lack of suitable parallel computing facilities), a better
approach is to use surrogate models to first approximate the objective function and then to use the surrogate model
for optimisation.
One surrogate modelling approach is the application of Artificial Neural Networks (ANNs). ANNs are known to
be universal function approximators and generally give good results on unseen data and are relatively
computationally inexpensive to evaluate. Neural network surrogate modelling has been used previously in reservoir
engineering applications by Mohaghegh et al. [10] for oil production, and by Kalantari-Dahaghi and Mohaghegh
[11] to analyse the sensitivity of matrix-fracture systems petrophysical and geometrical properties in shale gas
reservoirs.
In this study, ANN surrogate modelling has been used to optimise CO2 storage into a highly heterogeneous semiclosed saline aquifer which exhibits considerable pressure increase due to injection. In order to account for pressure
buildup in the CO2 injection design, one conventional option is to enforce the limit of pressure increase as a
constraint [12]. Another option, implemented in this study, is to include the pressure increase as one objective
function of a Multi-Objective Evolutionary Algorithm (MOEA). The advantage of this approach is that it enables
the system designer to consider a range of pressure limits, which in turn incorporates the uncertainty of the pressure
limit definition, and ensures that the designer does not need to speculate the pressure limit value at the start of the
optimisation process.

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2. Methodology
A schematic of the proposed approach is presented in Fig. 1 (a). Initially, a sampling scheme is constructed as
shown in step 1 of Fig. 1 (a). Schlumbergers ECLIPSE [13] solver is sampled at these points to generate the output
objectives as indicated by step 2. The inputs are the injection rates of the wells and outputs are either the average
pressure of the aquifer, or the bottomhole pressures of the wells, and stored fraction of CO2 is either dissolved or
residually trapped. This forms the set of training data with which the ANN models are trained as in step 3 of the
Figure. Several realisations of permeability and porosity are considered to account for uncertainty of the subsurface
system. The trained ANN essentially functions like a surrogate of the ECLIPSE model itself and generalises to datapoints outside the training data-set. By varying the injection rates, it is possible to maximise the fraction of CO2
stored and at the same time minimise either the pressure buildup in the aquifer or the bottomhole pressure of the
injection wells. By finding the Pareto fronts between the objectives of this multi-objective optimisation problem, the
design engineer would be able to quantify the trade-offs between the different objectives for the system as shown in
step 4 of Fig. 1 (a). It is then possible to suggest a suitable compromise solution for the field implementation and use
intuitive judgement for a-posteriori decision making. The geometry of the computationally expensive ECLIPSE
model is shown in Fig. 1 (b).

(a)

(b)

Fig. 1. (a) Schematic for the ANN based optimisation scheme (b) The geometry of the aquifer model and well positions of the ECLIPSE model.

2.1. Governing equations and model description

The compositional simulator ECLIPSE E300 [13] was used to conduct the reservoir simulation. The formulation
for this simulator includes the extended Darcy law for multiphase flow of each phase ( D ) and the mass
conservation equation for each component ( i ) in present phases including the diffusive flux:

vD

 UD

KkrD

PD

(pD  UD gz ),

w
i
M SD UD xDi 
( xDi .vD  JD
) qi

wt
D
D

(1)

(2)

where v D , PD , krD , pD , and UD are respectively the velocity, viscosity, relative permeability, pressure and
density of phase D (gaseous and aqueous brine phase) and K is the absolute permeability. In Equation (2) for the

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mass conservation, M is porosity of the porous medium, S D is the saturation of phase D , xDi is the mass fraction
of component i in fluid phase D . Hence, xDi .vD  J Di is the mass flux of component i , within fluid phase D ,
written as the sum of the advective (Darcy) and nonadvective (diffusive) mass fluxes. The diffusive flux of
component i in phase D in a porous medium is computed using Ficks law as:
JDi

M SD UD DDi I xDi

(3)

where DDi is the normal diffusion coefficient of component i , within fluid phase D .
The reservoir model used is a synthetic two-dimensional channelised structure 6 km6 km30 m in size which
represents a very large thin aquifer. The number of grid blocks in x, y and z directions are Nx = 100, Ny = 100 and Nz
= 1. Four vertical CO2 injection wells, denoted as W1, W2, W3 and W4 in Fig. 1 (b), are located within the model
domain in a regular grid spacing 2 km apart in x and y directions. The depth of the aquifer is set to 1 km and the
aquifer temperature is set to 50 C. The initial molar composition of brine is set to 0.08 NaCl, 0.01 CaCl2 and 0.91
water. The normal diffusion coefficients are set to 0.001 cm2/sec for water and CO2 components in the gaseous
phase, and 0.0001 cm2/sec for all components present in the aqueous phase. For the relative permeability the
hysteretic curves given in Juanes et al. [14] are used. The pore volumes of the gridblocks situated in the northern and
southern boundaries are enlarged so that the total pore volume reach to around 850 million reservoir cubic meters
(rm3) at an assumed initial reference pressure of 62 bar.
The aim here is to study the effect of injection rate choice on the bottomhole pressure for each well, the average
reservoir pressure and the overall amount of CO2 stored for the given choice. It is assumed that each well has a fixed
volume of 1.8103 million standard cubic meters (sm3) of CO2 available to inject within a period of 15 to 100 years.
This equates to approximately 3.4 million tonnes CO2 per well or 13.6 million tonnes CO2 overall (1 tonne CO2
equates to 535 sm3 for CO2 density of 1.87 kg/m3 at standard conditions, 15C and 1 atm). Therefore, the injection
rate for each well varies between 0.034 and 0.2267 million tonnes CO2 per year. These values are relatively small
considering that the reservoir is not thick or multi-layered.
In order to consider the uncertainty in the geological model, six realisations of permeability and porosity in the
synthetic channelised model were created using training images and the S-GeMS software [15]. The channel facies
are designed to exhibit long range correlation length features in the orientation of channel streaks, whereas the
interchannel facies exhibit smoothly varying, but yet heterogeneous porosity and permeability distributions (Fig.2).
I

0.5

0.5

0.5

0.4

0.4

0.4

0.3

0.3

0.3

0.2

0.2

0.2

0.1

0.1

0.1

(a)

(b)
Fig. 2. Example realisations illustrating (a) porosity and (b) permeability (md) heterogeneity within the channel and interchannel areas.

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3. Evolutionary multi-objective optimisation and surrogate modelling using artificial neural networks
3.1. ev- MOGA algorithm and Objective functions
The ev-MOGA algorithm [16] used in this study is an elitist multi-objective evolutionary algorithm based on the
concept of H - dominance. Deb et al. [17] provide a comparison of multi-objective evolutionary algorithms such as
NSGA II (Non-dominated Sorting Genetic Algorithm II), PESA (Pareto Envelope based Selection Algorithm),
SPEA II (Strength Pareto Evolutionary Algorithm II) etc., where the ev-MOGA has been found to be superior.
The first objective function for the optimisation problem studied here is:
tn

J1 (x)

Nb

i ,t
R

(m
tn

t 0 i 1
Nb

( mRi ,t

 mDi ,t )

 mDi ,t

(4)
 mFi ,t )

t 0 i 1

i ,t
where m Ri , t , m Di , t and m M
are respectively the mass of residually trapped CO2 in the gaseous phase, dissolved CO2
in aqueous phase and free CO2 in gaseous phase of the gridblock i at time t . Therefore, J 1 is the fraction of CO2
which is either dissolved or residually trapped and thus stored at a time tn during simulation.
For the second objective function, the aim is to minimise the maximum bottomhole pressure of the four wells in
the model so that:

J 2 (x)

tn
t1
t2
max PWi
, PWi
,..., PWi
, i {1, , 4}

(5)

where PWit is the well i s bottomhole pressure (bar) at time t . The max operator, therefore, considers all the wells
and over the entire injection and post-injection period.
3.2. Surrogate modelling using artificial neural networks
Feed-forward neural network are used for approximating the components of the objective functions. The dataset
is divided into training, validation and testing sets by randomly dividing the input dataset into three groups, based on
a pre-specified ratio of 70:15:15. The training dataset is used to modify the weights of the neural network using an
error minimisation mechanism. The back-propagation algorithm is used to train the network. In this technique, the
errors in the output layer are propagated backwards to the preceding hidden layers and their weights are adjusted in a
way so that the error is reduced. The objective function used for training the neural network and updating its weights
is the mean squared error (MSE).
4. Simulation and results
4.1. Neural network fits of the objective functions
Six different feedforward neural networks, each with one input layer, one hidden layer and one output layer is
trained for each different component of the objective functions J1 and J2 . The ANNs represent the residually
trapped CO2, the dissolved CO2 and the bottomhole pressures of each of the four injection wells.There are 4 inputs,
10 neurons in the hidden layer with tan-sigmoid type activation function. The output layer contains a single neuron
with a linear transfer function. The R values (the squared root of the coefficient of determination, as a measure of the
goodness of fit), which reflect the performance of the networks, is above 90% for all the training, validation and
testing data-sets. Fig. 3 shows the error histogram with the corresponding regression plots for training, testing and

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validation of one of the trained ANNs. It is observed that the errors are very small and the ANN predicts the output
quite well and also generalizes to unseen data.
Validation: R=0.97777

Error Histogram with 20 Bins

240
220
200
180
160
140

Training
Validation
Test
Zero Error

70
60

220
200
180
160

200

250

150

Target

20

13.52

12.15

10.79

9.424

8.059

6.695

5.331

3.967

2.602

1.238

-1.49

-0.1261

-2.855

-4.219

-5.583

-6.947

-8.312

-9.676

-12.4

-11.04

10

240
220
200
180
160
140

Errors = Targets - Outputs

150

200

250

All: R=0.98622

Data
Fit
Y=T

Output ~= 0.99*Target + 1.8

30

260

200

Target

Test: R=0.97683

40

Output ~= 0.99*Target + 1.1

Instances

Data
Fit
Y=T

240

140
150

50

260

Data
Fit
Y=T

Output ~= 1*Target + -4

Output ~= 0.98*Target + 3.2

Training: R=0.99011
260

260

Data
Fit
Y=T

240
220
200
180
160
140

250

150

Target

200

250

Target

(a)

(b)

Fig. 3. (a) Error histogram for the training, validation and testing data for one of the ANNs (b), the corresponding regression plots for the original
data versus the prediction,

4.2. Optimisation Results

during the simulation [bar]

J : Maximum P for all wells

2
W

280
ECLIPSE
ANN

260

CO2 Injection rate (million tonnes per year)

With respect to the Pareto front obtained by the ANN-based multi-objective optimisation shown in Fig. 4 (a) for
J1 versus J2, the stored amount of CO2 expressed as mass fraction of the injected CO2 varies between 0.6 to 0.7. The
maximum bottomhole pressure of the wells varies between 140 to 280 bar.

W1
W2
W3
W4

0.25

240
220

0.2

0.15

200
180

0.1

0.05

160
140
0.6

0.62
0.64 0.66
0.68
0.7
J : Mass fraction of stored CO by
1
2

10
20
30
40
Pareto front solution (number)

dissolution and residual entrapment [-]

(a)

(b)

50

Fig. 4 (a) Pareto fronts (including 50 solutions) for J1-J2 obtained by ANN-based MOGA and substitution in ECLIPSE, (b) the injection rates
corresponding to each Pareto solution.

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Indranil Pan et al. / Energy Procedia 63 (2014) 3483 3491

0.9
Mobile CO2

0.8

Residually trapped CO2

0.7

Dissolved CO2

0.6
0.5
0.4
0.3
0.2
0.1
0

50
100
150
Simulation time [year]

(a)

200

PW for wells 1 to 4 and for 6 realisations [bar]

Mass fraction of CO2 for 6 realisations [-]

Using the same injection rates for all the Pareto optimal solutions, the ECLIPSE simulation results were analysed.
Some of the points in ECLIPSE-based Pareto front are dominated, in other words some solutions are not Pareto front
solutions (see Fig. 4 (a)). However, the trend of the ANN-based and ECLIPSE-based Pareto fronts agree reasonably
with one another with a maximum error of 12 bar in pressure and 0.0118 in fraction of CO2 stored. Very few of
the ECLIPSE-based Pareto front points are dominating ANN-based solutions, indicating that the ANN-based
optimal solutions suggest a higher mass of trapped CO2.
Fig. 4 (b) shows the injection rates corresponding to each well for each of the 50 Pareto solutions. All solutions
are in the range 0.034 to 0.2267 million tonnes CO2 per year as dictated by the upper and lower bounds of the
variables. These figures provide guidance over what injection rates must be chosen for the wells to maximise the
storage, if the aim is not to exceed a given bottomhole pressure in any of the wells. For example, assuming that the
site analysis indicated a maximum allowable bottomhole pressure of 225 bar, it would be feasible to optimise the
storage fraction nominally up to an average of 0.67 over the realisations considered.
250

200

150

100
W1
W2

50

W3
W4

10

20
30
40
Simulation time [year]

50

(b)

Fig. 5. (a) Fraction of mobile, dissolved and residually trapped CO2 for the case in which the allowable maximum bottomhole pressure is 225 bar,
(b) the corresponding profiles of the bottomhole pressures over 50 years four wells.


Fig. 6. The CO2 saturation profiles for three of the realisations at the end of simulation after 200 years

For the ANN- and ECLIPSE-based optimisation points within the red circle in Fig. 4 (a), the injection rates of
0.0802, 0.1683, 0.1124 and 0.0784 million tonnes per year for wells W1, W2, W3 and W4 respectively can be
derived from Fig. 4 (b) to maximise CO2 fraction stored. For this configuration of injection rates, the actual fraction
of mobile, dissolved and residually trapped CO2, obtained by ECLISPE simulation are shown in Fig. 5 (a) for all
realisations. At the end of the simulation the average fraction of stored CO2 is around 0.67. In this case, Fig. 5 (b)
shows the evolution of the bottomhole pressures of the four wells for all realisations, where the bottomhole pressures
of W1 and W3 reach the 225 bar limit.

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Finally for the optimal case, the profiles of the gas saturation (mobile CO2) for three realisations at the end of
simulation are presented in Fig. 6. It is shown that W1 and W3 allow higher shares of mobile CO2 to remain,
although all wells have been used to inject equal amounts of cumulative CO2.
For the analysis of CPU time, the time required for parallelised run of the ECLIPSE data files for 6 realisations is
around 6 minutes on a Windows-operating system with 3.40GHz CPU and 16.0 GB RAM. In order to obtain the
Pareto front directly by ECLIPSE the run-time required for 6 realisations, with parallelisation, is around 5306
minutes, which is approximately 2.21 days, since there are 530 evaluations of objective functions. In contrast, the
ANN-based Pareto front was obtained in a fraction of a minute. However, the time required for the objective
functions evaluation of 400 sampling points for all 6 realisations in the training period of ANNs, which is around
1.67 days, should also be considered. Nevertheless, the time savings due to ANN based surrogate modelling is more
significant when additional processes, such as single objective optimisation or other algorithms of optimisation, are
used in comparison to an optimisation using ECLIPSE outputs. In that case, the additional work required is
achievable by the ANN surrogate model without the computationally expensive objective functions evaluation.
5. Conclusions
The variables used for the CO2 storage optimisation presented in this paper were the injection rates at all four
wells that form part of the injection design. As a result, the improvement in the fraction of stored CO2 was limited to
a range of less than 10 % increase in all cases. If other assumptions were considered for maximisation of storage,
such as multiple periods of injection, brine cycling, new well setting, existing well(s) use etc., the fraction of stored
CO2 would have varied more widely. In other words, there would have been more opportunity for optimising the
injection design. Using many parameter controls would require more sampling, hence more time for the initial
ECLIPSE runs. This would be potentially a more complex ANN architecture and also modestly increase the ANN
running time. However, this is not a limitation to the overall performance of the proposed methodology, besides the
higher computational costs.
Another important consideration is that the surrogate ANN model relies on a representative sampling scheme and
may not generalise well over the whole input variable space. Hence the minima or Pareto front as predicted by the
model might be sub-optimal [9]. One of the ways to overcome this is to include the surrogate modelling scheme in
each iteration of the optimisation algorithm [9]. In such a case the surrogate model is dynamically updated over the
iterations and, in each iteration, the minima pointed out by the surrogate are chosen as the next sampling point by the
optimisation algorithm [9]. This generally results in better minima, but requires dynamic coupling of the surrogate
modelling methods and the optimisation algorithm with the computationally expensive flow solver.
In summary, the surrogate based optimisation using ANN was found to give good results for the design of CO2
storage systems. This kind of optimisation is important from the engineering design point of view and presents the
system designer with a wide array of choices to decide on the best compromise solution for the specific case. Future
work can be directed towards comparison with other surrogate based optimisation methods.
Acknowledgements
This research was carried out as part of the UK Research Councils' Energy Programme funded project
"Multiscale whole systems modelling and analysis for CO2 capture, transport and storage", Grant Reference:
NE/H01392X/1.
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