Exergy Optimization in Distillation Units
Exergy Optimization in Distillation Units
a r t i c l e i n f o a b s t r a c t
Article history: This paper presents a methodology for optimising the exergy efficiency of atmospheric distillation unit
Received 12 September 2016 without trading off the products qualities and process throughput. The presented method incorporates
Received in revised form 27 March 2017 the second law of thermodynamics in data driven models. Bootstrap aggregated neural networks (BANN)
Accepted 29 March 2017
are used for enhanced model accuracy and reliability. The standard error of the individual neural network
Available online 31 March 2017
predictions is taken as the indication of model prediction reliability and is incorporated in the optimiza-
tion objective function. The economic analysis of the recoverable energy (sum of internal and external
Keywords:
exergy losses) reveals the energy saving potential of the proposed method, which will aid the design and
Atmospheric distillation
Exergy
operation of energy efficient atmospheric distillation columns.
Optimization © 2017 Elsevier Ltd. All rights reserved.
Neural networks
[Link]
0098-1354/© 2017 Elsevier Ltd. All rights reserved.
202 F.N. Osuolale, J. Zhang / Computers and Chemical Engineering 103 (2017) 201–209
Table 1
Nomenclature TBP distillation curve.
Exphy = H − H0 − T0 (S − S0 ) (2)
2.2.2. Building the flow sheet where H is the total enthalpy, S is the total entropy and T is the
The modelling of the crude distillation units were done in the temperature. The subscript 0 denotes reference conditions
HYSYS environment using their operating and design parameters. For the crude stream considered, standard molar chemical
The simulation was done to be prototype of the actual process exergy Exchem is calculated from the standard molar chemical exer-
as much as possible in terms of these parameters: the number of gies of all identified components and pseudo-components as
trays, feed tray, feed temperature, feed flow rates, heat exchangers
supply and target temperatures, product specifications, steam flow Exchem = m bqk + bchk + RT0 lnak (3)
rates, and pump around flow rates. Data such as entropy, enthalpy,
temperatures, pressures, compositions and stream flow rates were Where bchk is the chemical exergy for component k, bqk is the
extracted from the simulation for exergy analysis. chemical exergy for pseudo component k, and ak is the activ-
In the HYSYS simulation, the specifications of the products are ity coefficient of component k. The standard chemical exergy for
added to the streams as given in Table 3 and the quality of the pseudo-components can be determined for heuristic empirical
ADU product is maintained by ensuring the temperature difference expression as a function of the elementary composition and their
between the 95% vol. and the 5% vol. of the ASTM D86 of two con- heating values (Szargut et al., 1988).
secutive products is within the acceptable limit (Jones et al., 1999).
The ASTM curve for the product of ADU is shown in Fig. 2. bqk = ϑk Ck (4)
204 F.N. Osuolale, J. Zhang / Computers and Chemical Engineering 103 (2017) 201–209
800
AGO
Diesel
700
Kerosene
400
300
200
100
-100
0 10 20 30 40 50 60 70 80 90 100
Cut point (%)
Where ϑk is the regression equation to express the ratio H/C, N/C, Table 4 gives the results of the physical exergy of the ADU.
O/C and S/C for pseudo-component k, Ck is the net calorific heating
value of the pseudo-component k (Rivero et al., 1999). From Fig. 1
2.3.2. Economic analysis
the exergy for the inlet and outlet streams for the ADU are given as
The total cost of the column is given as
Exout = ExL Naphtha + ExH naphtha + Exkero + Exdiesel Total cost = Energy cost + Capital cost (9)
Table 4
Simulation data for exergy analysis.
Inlet streams
Crude inlet −271082 −463266 730.2 309.4 2227 1.487 × 108
Crude Steam −230832 −286232 186.5 53.66 125.9 1.993 × 106
Kero Steam −230832 −286232 186.5 53.66 88.13 1.395 × 106
Diesel Steam −230832 −286232 186.5 53.66 62.95 9.964 × 105
AGO steam −230832 −286232 186.5 53.66 18.88 2.988 × 105
Furnace duty 6.792 × 107
Outlet streams
L Naphtha −162826 −194812 187.17 96.83 594.99 3.013 × 106
H Naphtha −219225 −261920 218.21 103.10 504.00 4.228 × 106
Kerosene −286630 −356746 338.35 158.68 423.00 7.010 × 106
Diesel −346029 −476298 578.41 267.78 177.00 6.674 × 106
AGO −386917 −599476 871.93 396.66 184.00 1.305 × 107
Residue −586313 −992013 1677.13 805.88 479.27 7.001 × 107
Table 5 data. The network giving the lowest sum of squared errors (SSE) on
Feed, products and utility prices.
the testing data is considered as having the appropriate number of
Item Cost Unit hidden neurons. The Levenberg-Marquardt optimization trainning
Crude oil 80 $/bbl algorithm with regularisation and cross validation based “early
Light Naphtha 44.3 $/bbl stopping” was used to train the network. The final developed neural
Heavy Naphtha 136 $/bbl network model is evaluated on the unseen validation data. Because
Kerosene 122.7 $/bbl of the different magnitudes of the input and output data of the
Diesel 121.7 $/bbl
model, the data for the training, testing and validating were scaled
Atmospheric gas oil 95.29 $/bbl
Residue 89.71 $/bbl to be in the range [−1,1].
Fired heating 150 $/kJ For enhanced model accuracy, boostrap aggregated neural net-
Cooling water 5.25 $/kJ work Zhang (1999) is used in this study. In a bootstrap aggregated
Stripping steam 0.14 $/kmol
neural network model, several neural network models are devel-
oped to model the same relationship. Individual neural network
For a stainless steel shell and tube heat exchanger, models are developed from bootstrap re-sampling replications of
the original training data. Instead of selecting a single neural work
Heat exchanger cost = 33422 + 1784(area)0.81 (12) that is considered to be the “best”, several networks are combined
The method of improvement being proposed here does not together to improve model accuracy and robutsness. These mod-
include a change in any of the equipment and hence the capital els can be developed on different parts of the data set. One further
cost remains the same. Basically the economic analysis is based on advantage of BANN is that model prediction confidence bounds can
the operating profit of the column and expressed mathematically be calculated from individual network predictions. The confidence
as interval gives an indication of the prediction reliablity. The standard
error of the ith predicted value is calculated as
n
n
Profit = Mj Cj − [Mcrude Ccrude + Msteam Csteam + Qx Cx ] (13) 1
1
n 2
j=1 x=1 2
= y xi ; W b − y (xi ; ) (14)
n−1
Where Mj and Cj are the flow rate and cost of the jth product, Msteam b=1
and Csteam are the flow rate and cost of steam respectively, Qx and
Cx are the heat requirement of utility and the cost of utility respec-
n
tively. The calculation is based on the assumption of 8600 h per where y (xi ) = y xi ; W b /n and n is the number of neural net-
year. In Table 5, the feed, products and utility prices are shown b=1
(Energy Information Administration, 2014). works. The 95% prediction confidence bounds can be calculated as
y (xi ; ) ± 1.96. It indicates a 95% certainty level that the interval
3. Modelling of the atmospheric distillation unit will contain the true process output with a probabilty of 0.95. A nar-
rower confidence bounds indicates the associated model prediction
3.1. Data collection and processing is more reliable.
The inputs for the data driven model are the flow rates of all 3.2. BANN model of the column
the ADU products, the three side strippers flow rates, the pump
around rates and change in pump around temperatures. The input Bootstrap aggregated neural network models each containing
are chosen on the basis of being variables that can be manipulated 30 neural networks were developed for predicting the exergy effi-
and also impact the heat recovery of the process and hence the ciency and the product qualities of the ADU. Each network has a
energy efficiency. The crude flow rate and hence its stripping steam single hidden layer with 20 hidden neurons. It has been proved
were not considered as model inputs since they are constant for the that a single hidden layer neural network with the sigmoid activa-
case being studied. If the data for the modelling are to be taken from tion function in the hidden layer can approximate any continuous
actual plant operating conditions and are found to be varied, then nonlinear function as long as the number of hidden neurons is suffi-
they should be considered as additional model inputs. The outputs cient (Cybenko, 1989). Sigmoid activation function was used for the
are the products qualities and the exergy efficiency of the system. hidden neurons and linear activation function for the output neu-
Data for ANN models can be either obtained from process oper- ron. The 30 neural networks are different in that they are trained
ation parameters Bahar et al. (2004) or from other models (Basak with different training data sets, which are obtained as bootstrap
et al., 2002). In this case study, simulated process operational data re-sampling replications of the original training data set, and they
were generated from HYSYS (V8.2). Variables were varied within have different initial weights during training. Fig. 3 shows the pre-
their lower and upper bounds in a nested loop. A total of 2048 data dicted and the actual values. The predicted and the actual values are
samples were generated. The chemical and physical exergies of all super imposed on each other. This shows the BANN model almost
the inlets and outlets streams for each generated data were calcu- perfectly mimic the actual data for the training, testing and vali-
lated (Eqs. (1)–(4)) and the corresponding exergy loss and exergy dation. This gives a measure of confidence on the reliability of the
efficiency were evaluated (Eqs. (7) and (8)). The data were divided model. In Fig. 4, the prediction error between BANN model and
into training data (50%), testing data (30%), and unseen validation actual process data is shown for the training, testing and validation
data (20%). The training data is used for network training and the data set. BANN model predictions can be said to be very accurate.
testing data is used for network structure selection (number of hid- Fig. 4 shows the scaled MSE of the individual networks. It can be
den neurons) and “early stopping” in network training. With the seen from Fig. 4 that a network with small training MSE may have
“early stopping” mechanism, neural network prediction errors on quite large MSE on the validation data. This indicates inconsistency
the testing data are continuously monitored during training and and non-robust nature of the individual networks. Table 6 shows
training is terminated when the prediction errors on the testing the MSE of the bootstrap aggregated neural network models and
data do not futher reduce. The number of hidden neurons was the standard errors from the individual network predictions on the
determined by building a number of neural networks with differ- training and validation data sets. The model accuracy is seen to be
ent numbers of hidden neurons and testing them on the testing improved by combining the imperfect models (Fig. 5).
206 F.N. Osuolale, J. Zhang / Computers and Chemical Engineering 103 (2017) 201–209
-3
x 10
0.8 5
4
0.7
3
0.6
Predicted exergy efficiency
2
Prediction errors
0.5 1
0.4 0
-1
0.3
-2
0.2
-3
0.1 -4
0 0.2 0.4 0.6 0.8 0 500 1000 1500 2000
Actual exergy efficiency Samples
Fig. 4. BANN predicted vs. actual exergy efficiency (left) and prediction errors (right) for training, testing and validation data.
Mean square error Standard prediction error 3.3.1. Optimization of exergy efficiency based on BANN model
Testing data 4 × 10−6 6 × 10−6 The objective of the optimization here is to maximize the exergy
Validation data 1.6 × 10−5 1.9 × 10−5 efficiency of the atmospheric distillation unit. There are a number
of decision variables in the ADU which finding their optimal can
significantly improve the exergy efficiency of the ADU. The model
It can be seen that individual networks give inconsistent per- prediction confidence bound, which depends on model input vari-
formance on the training and unseen validation data indicating the ables, is incorporated in the optimization problem. By penalizing
non-robust nature of single networks. BANNs give consistent and wide model prediction confidence bounds, the optimization results
more accurate prediction performance on the training and unseen are forced into the region where model predictions are reliable.
validation data sets.
F.N. Osuolale, J. Zhang / Computers and Chemical Engineering 103 (2017) 201–209 207
-5
x 10
2
MSE(training)
1
0
0 5 10 15 20 25 30 35
-5
x 10
4
MSE(testing)
0
0 5 10 15 20 25 30 35
-4
x 10
MSE(Validation)
0.5
0
0 5 10 15 20 25 30 35
Network No
Fig. 5. Model error of individual networks for the crude distillation unit.
is due to the incorporation of model prediction confidence bounds Base case 266.3 230.9 155.5 −46.62 93.67 775
in the optimization objective function. The selection of the weight- Optimized 259.5 225 153.8 −46.84 86 772
ing parameter, , depends on the relative magnitudes of the two A, D, K, L, H, R are AGO, Diesel, Kerosene, Light Naphtha, Heavy Naptha and Residue
terms in the objective function. It should be selected so that a respectively.
208 F.N. Osuolale, J. Zhang / Computers and Chemical Engineering 103 (2017) 201–209
Table 9
Optimization results (efficiency and profit).
Exergy (%) Irreversibility (kJ/h) Steam cost Energy cost ($/yr) Profit ($/yr)
Base case 46.99 1.174 × 108 3.562 × 105 3.456 × 106 3.030 × 109
Optimum 83.04 6.478 × 107 3.322 × 105 3.193 × 106 3.055 × 109
guide (Jones, 1999). The quality of the products as%vol of the ASTM conditions. Product quality constraints on the column also intro-
distillation for the base case and optimized case are given in Table 8. duced a measure of penalization on the optimization result to
Quite often, optimization of distillation process is performed sub- give as close as possible to what obtains in reality. The proposed
ject to one or two distillate qualities (Gadalla et al., 2013). The technique can significantly improve the second law efficiency of
method proffered here allows for inclusion of as many product the system with an additional economic advantage. Most methods
qualities as desired. A number of methods exist in literature for found in the literature are based only on the first law analysis of the
online monitoring of chemical processes Shahnovsky et al. (2012) column. This might give a fictitious sense of achievement. The pro-
especially crude distillation process qualities (Shang et al., 2014). posed modeling and optimization strategy can aid in the operation
The method as proposed here could predict the product qualities and design of energy efficient column. The proposed method can
and as well predict the optimum operating exergy efficiency of the also be applied to other systems as long as the operational data of
column. Stringent requirement of petroleum quality demands the the systems are available and the exergy efficiency of the systems
need to monitor and control the quality at all times. One approach is can be modelled and then optimized.
to use off-line laboratory analysis at periodical intervals. This could
result in massive time delay and sometimes manual efforts. The
other approach of online analyser could be expensive and difficult Acknowledgement
to predict its exactness. These side effects necessitate the need for
data driven models for monitoring the product quality. There is a The work was supported by the Commonwealth scholarships
possibility of developing this method further to monitor the prod- commission in the UK and partially supported by the EU FP7 (Ref:
uct quality with the added advantage of predicting the efficiency PIRSES-GA-2013-612230).
of the system. It could have applications in process monitoring,
advanced control and fault diagnosis. In Table 8, the 95% vol and
5% vol of the ASTM distillation for the base case and the optimized References
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