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

principal component analysis

⁎

Usama Ahmeda, Daegeun Haa, Jinjoo Ana, Umer Zahidb, Chonghun Hana,

a

School of Chemical and Biological Engineering, Seoul National University, Seoul 151-744, Republic of Korea

b

Chemical Engineering Department, King Fahd University of Petroleum & Minerals, Dhahran, Saudi Arabia

A R T I C L E I N F O A B S T R A C T

Keywords: Multivariate statistical methods for process monitoring are attaining a lot of attention in chemical and process

Principal Component Analysis (PCA) industries to enhance both the process performance and safety. The fault in one process variable readily aﬀects

Fault detection the other variables which makes it diﬃcult to identify the fault variable precisely. In this study, principal

Singular Value Decomposition (SVD) component analysis (PCA) model has been developed and applied to monitor the NGL (natural gas liquid)

Residual subspace (RS)

fractionation process. Normal and fault case scenarios are developed and compared statistically to identify the

Fault propagation path estimation

fault variable and to estimate the fault propagation path in the system. The simulated NGL plant is ﬁrst validated

against the design data and then the developed methodology is applied to predict the fault direction by

projecting the samples on the residual subspace (RS). The RS of fault data is usually superimposed by normal

variations which must be eliminated to amplify the fault magnitude. The RS is further transformed into co-

variance matrix followed by Singular Value Decomposition (SVD) analysis to generate the fault direction matrix

corresponding to the highest eigenvalue. The process variables are further analyzed according to their

magnitude of contribution towards a particular fault that in turn can be used for the determination of fault

propagation path in the system. Furthermore, the applied methodology can quickly detect the fault variable

irrespective of using the fault detection indices where the variable showing highest variation is most likely to be

the fault variable.

seen in various industries, for example, semiconductor manufacturing

The development in automation and control systems makes it [1], chemical [2] and steel industries [3]. Based on the knowledge,

possible to collect a large amount of data from both process and experience and existing models, several univariate and multivariate

product development industries. However, analyzing and interpreting statistical methods have been used for fault detection and diagnosis.

the data always remained the key issue. Quick data analysis using Most of the process variables exhibit a strong correlation making

various statistical tools has already enhanced the process performance, multivariate statistical methods as a preferred approach over univariate

reduced industrial waste and still exhibits a potential to improve the statistical methods for fault detection and its diagnosis. Principal

process economics. The real time process monitoring and fault diag- component analysis (PCA) is an eﬃcient multivariate statistical tech-

nosis is gaining a lot of attention in process industries to enhance both nique used for process monitoring and control [4,5], fault detection and

the performance and product quality. The safe operation of chemical diagnosis [6,7], and sensor validation [8,9]. The basic strategy of PCA

plants demands for a large number of sensors to monitor the process is to generate a few principal components from a high dimensional

variables. However, the increase in number of sensors not only correlated data into uncorrelated data while retaining the original

increases the chances of sensor faults but also make it diﬃcult to information. PCA method can also be used as a tool that models the

analyze the recorded data. process behavior in terms of variables during normal operation and

Data-driven models for fault detection and diagnosis had been compares the changes in variables during the fault situation. Hotelling

widely used in process industries during the last few decades. The T2 statistics and Q-statistic (squared prediction error (SPE)) indices are

modern industries having large scale unit operations and unit processes extensively used for fault detection in various industrial applications

with a multi-level control hierarchy are good candidates for the [10–15]. The T2 statistics and SPE represents the systematic and

⁎

Corresponding author.

E-mail address: chhan@snu.ac.kr (C. Han).

http://dx.doi.org/10.1016/j.chemolab.2017.01.006

Received 31 May 2016; Received in revised form 22 December 2016; Accepted 9 January 2017

Available online 10 January 2017

0169-7439/ © 2017 Elsevier B.V. All rights reserved.

U. Ahmed et al. Chemometrics and Intelligent Laboratory Systems 162 (2017) 73–82

PC Principal component

PCA Principal component analysis AGR Acid gas removal

SVD Singular value decomposition NG Natural gas

SPE Squared prediction error NGL Natural gas liquids

PCS Principal component subspace

residual part of the process variation in principal component subspace in the system. However, this procedure becomes quite complicated and

(PCS) and residual subspace (RS), respectively. Both T2 statistic and SPE time taking with an increase in number of process variables. Therefore,

are calculated for each sample/observation and compared with the more robust algorithm is required that can predict the hierarchy of

corresponding control limits calculated for the normal process. Any variables in a fault situation. The main objective of this study is to

occurrence of fault in the process changes either T2 statistic or SPE of develop a robust algorithm that can estimate the fault propagation path

the samples or even both in some cases. T2 statistics measures the in a process system in addition to the detection of an actual fault. The

variation in each sample and indicates its distance from the center of developed algorithm represents the hierarchy of variables that can be

model. This method is fairly easy to use for overall process monitoring, aﬀected by a certain fault. The developed methodology can trace the

however, it cannot be used to identify the process faults. As multiple fault transmission direction in industries to identify the fault more

sensors are aﬀected simultaneously during the process abnormality, the readily compared to the other conventional techniques. Moreover, fault

contribution plots of T2 statistics for samples represents the contribu- propagation path can help in short listing the aﬀected variables for the

tion of multiple variables towards a fault which makes it diﬃcult to corrected action to ensure safe and smooth operation of the process.

precisely detect the fault variable. On the other hand, SPE measures the The developed PCA model is applied to NGL fractionation process

sum of variations in the RS by analyzing the contribution of each containing series of distillation columns and the hypothetical fault case

variable in a fault situation. scenarios are considered to identify the fault propagation path in the

Data driven methods used to analyze the variables relationship do system.

not require a deep process knowledge for achieving satisfactory results. The paper is divided into six major sections. First section gives a

However, recent studies suggests that coupling the data driven methods brief introduction about PCA model development. Second section

with the process knowledge is highly essential to validate the reliability mainly discusses the fault detection indexes i.e. T2 statistic and SPE.

of the model [16]. The development of PCA model for various industrial The following section represents the algorithm for fault propagation

applications is also attaining a lot of attention due to less computation path detection in the system. Fourth section brieﬂy explains the NGL

complexities and an already developed framework. Jiang et al. [17] fractionation process and its model validation using the design data.

improved the PCA model by resolving the data loss issues through Fifth section discusses various fault case scenarios and the implementa-

utilizing both the fault related information and the normal process. tion of the developed algorithm. Finally, the last section concludes the

Wang et al. [18] developed the partitioning PCA model to identify paper.

multiple fault variables in the process. Moreover, Jiang et al. [19]

presented a method for optimizing the variables selection for model 2. Principal Component Analysis (PCA) model

development that improved the process monitoring reliability with

more accurate description of faults. The developed models were tested 2.1. Model development

for various chemical processes and showed improvement in contribu-

tion plot of variables for the fault detection. The PCA modelling also In this study, PCA model is developed using MATLAB® which is

ﬁnds its application in various ﬁelds ranging from nano-material commercial tool and contain large number of built-in mathematical

manufacturing industries to the super critical nuclear power plants operations for handling large dimensional matrices. Two type of

and petroleum industries. Penha et al. [20] developed the PCA to methodologies can be used in process monitoring and fault diagnosis.

monitor temperature variations in the nuclear reactors using both T2 One way is to develop models for all the relevant fault cases and the

statistics and SPE methods. Landells et al. [21] implemented the PCA other method is to make a general model for a normal case and compare

models to reﬁnery and chemical production process for early fault it with all the fault case scenarios. It is quite evident that the latter one

detection to enhance the process eﬃciency. Villegas et al. [13] applied require less eﬀort and could be used for wide range of case studies. PCA

the PCA model to monitor the liquid level in tanks by making various model transforms the set of correlated variables into fewer un-corre-

fault cases and validate the SPE results with the actual process. lated variables (Principal components) while retaining most of the

Similarly, Ferrer [22] used the T2 statistics and score plots to observe original information. It takes an advantage of using redundant informa-

the process shift in automobile manufacturing industry which in turn tion existing in the correlated variables to reduce dimensionality. PCA

predicts the manufacturing quality. Qin [12] compared the two indices requires a data matrix X ε R n×m containing n number of samples/

and showed that SPE predicts the fault more accurately than T2 statistic. observations corresponding to m number of variables. This data matrix

Several studies have used PCA models for fault detection and X is considered as a training data which is scaled to mean zero and unit

diagnosis, however, only few studies investigated the fault propagation variance for PCA modelling. Usually, large number of samples are

path in the real systems. The fault in one sensor or variable instantly involved in the training data so that the normal variations in the

aﬀects the other process variables so it is essential to estimate the fault process are also incorporated in the model. The data matrix X is given

propagation path in the system in addition to the fault detection. in Eq. (1) where xi represents the ith sample of m variables.

Recently, Hong et al. [23–25] developed a progressive PCA model to

predict the fault propagation path in the penicillin production process X = [x1 x2 . . . . . xn ]T ε R n × m (1)

in terms of process variables. The algorithm in the model detects the

The next step after scaling the training data is to determine the

fault variable having highest contribution in SPE contribution plot.

principal components. Usually, two methods can be employed for

Once the variable is detected, it is removed and a new PCA model is

generating the principal components namely singular value decomposi-

developed with the remaining variables to detect the next fault

tion (SVD) and eigenvalue decomposition. SVD method can be applied

variable. The detection of fault variable from each new model in turn

to the training data matrix X to decompose it into score matrix T ε

represents the hierarchy of variables involved in fault propagation path

R n×l , loading matrix P ε R m×l and residual matrix E as given in Eq. (2),

74

U. Ahmed et al. Chemometrics and Intelligent Laboratory Systems 162 (2017) 73–82

where l represents the number of PC's [10]. The score matrix T and SPE ≤ δα 2 (10)

loading matrix P in turn gives an information about the samples and

Jackson et al. [26] developed an expressions to calculate δα2 as given

variables relationship, respectively. The number of PC's generated from

PCA are equal to the number of variables involved in the training data. in Eqs. (11–13).

Scree test, parallel analysis, percent variance test and residual sum of ⎛ h c 2θ

1

θ h (h − 1) ⎞ h0

δα2 = θ1⎜⎜ ⎟⎟

square statistics are some of the common methods used to determine 0 α 2

+ 1 + 2 0 02

the number of PC's, however, there is no ﬁx criteria to use any speciﬁc ⎝ θ1 θ1 ⎠ (11)

technique [10]. The number of PC's used to develop PCA model should m

explain as much variance in data as possible. Therefore, in this study, θ1 = ∑ j =a +1 λji , i = 1, 2, 3. . .

(12)

percent variance technique is used and only those PC's are retained that

explains cumulative percent variance (90–99%) of data. 2θ1θ3

h0 = 1 −

∼∼T 3θ2 2 (13)

X = TP T + E = TP T + TP (2)

The SPE is not aﬀected by the inaccuracies and over-sensitivities in

The decomposed part TP T determines the system variation,

the smaller singular values associated with the noise measurements.

whereas, E represents the noise in the system and is termed as residuals

∼ ∼ However, any violation to the control limit represents the occurrence of

[20]. The residual matrix E can be further decomposed into T and P

an unusual event causing an alteration in the covariance matrix of the

which represents the residual scores and loading matrices, respectively.

∼ model. In an event of fault, the sample vector x contains both the

The range space of P and P is PCS and RS with dimension l and m- l,

normal portion which is superimposed by the fault portion. Addition of

respectively. It can be seen from the Eq. (2) that T holds the linear

fault portion makes the SPE larger than the control limit (δα2 ) that leads

combination of matrix X deﬁned by the transformation vector P i.e. T

to fault detection.

= X P. The vectors T are the principal component scores which show

the samples relationship with each other, whereas, the vectors P are the

eigenvectors also known as principal component loadings. The alter- 2.2.2. Hotelling's T2 statistic

nate method of ﬁnding principal components is to perform eigenvalue The Hotelling's T2 statistic measure the variations in the PCS for

decomposition on the covariance matrix X as shown in Eq. (3). each sample x as shown in Eq. (14).

1 T 2 = xT P (∑a)−2 P T x (14)

S= XT X

N−1 (3)

where a presents the non-negative eigenvalues of corresponding P

The eigen-decomposition also generates the P (principal compo- loading vectors. The upper conﬁdence limit of T2 statistic for a normal

nents) with l leading eigenvectors and a diagonal matrix containing data following a multi-variate normal distribution can be calculated

eigenvalues arranged in descending order as shown in Eq. (4). from F-distribution as given in Eq. (15).

Λ = diag{λ1, λ 2 , λ 3, . . . . , λl } (4) a(n−1)

Ta2, n, α = Fa, n − a, α

n−a (15)

where the jth eigenvalue corresponding to the jth column of score

matrix T can be represented as follows: where n, a and α represents the number of samples, number of principal

1 components and level of signiﬁcance. As T2 statistics measures the

λj = t jT t j ≈ {t j} systematic variation in the process, any violation in the threshold of

N−1 (5)

upper conﬁdence limit would in turn represents the fault in the system.

The projection of sample vector x ε R on the principal component

m

On the contrary, T2 statistical indices are used for analyzing the process

subspace (PCS) and residual subspace (RS) is given in Eq. (6) and Eq. shift in the plant, whereas, SPE techniques are used for evaluating the

(7), respectively. fault in the system.

xˆ = Pt ≡ PP T x ∴ t = P T x (6)

3. Fault direction estimation methodology

∼

x = x − xˆ ≡ (I − PPT)x (7)

Occurrence of any fault in a system changes the value of variables in

x = xˆ + ∼

x (8)

a way that the resultant contains sum of normal portion and fault

where x̂ and ∼x are the projections of sample vector on PCS and RS, portion of data. Therefore, it is important to reduce the impact of

respectively. normal portion of data to amplify the fault eﬀect. Qin [12] and Valle

et al. [27] developed an expressions to estimate the fault directions in

2.2. Fault detection the residual subspace of a fault data as given in Eq. (16). For an

instance, sample vector x under fault situation can be projected on the

The critical part of multivariate process monitoring is the fault RS where x* presents the fault free portion of the subspace and Ξif

detection. Usually, Hotelling's T2 and SPE (Q-Statistic) indices are used represents the actual fault.

to monitor the variability in PCS and RS, respectively. T2 statistic

measures the variation in the PCA model, whereas, SPE predicts the x = x* + Ξif (16)

lack of model ﬁt for each sample. where Ξ i represents the orthonormality and ||f|| denotes the fault

magnitude that subjects to change over time as the fault develops. The

2.2.1. Squared prediction error (SPE) contribution of x* projected on the RS is usually very small compared to

Squared prediction error (SPE) index measures the fault by project- the fault magnitude so it can be eliminated as given in Eq. (17).

ing the samples on the RS. The SPE for each sample can be calculated 2

using Eq. (9), where I represents the identity matrix. x* = SPE (x) < δα 2 (17)

2 On the contrary, moving data average techniques can be used to

SPE = ∼

x 2

≡ (I − PP T )x (9)

reduce the impact of normal variations in situations where the fault

The process is considered to be normal as long as the sample's SPE is magnitude is not too large [28]. In an actual fault situation, the x* is

less than or equal to the δα2 as shown in Eq. (10). Where δα2 represents usually unavailable and is overlapped with the fault data. Therefore,

the upper control limit of SPE and α denotes the level of signiﬁcance. the removal of x* from RS can be achieved by rescaling the residual

75

U. Ahmed et al. Chemometrics and Intelligent Laboratory Systems 162 (2017) 73–82

matrix of the fault data with mean zero and unit variance of residuals of separate the ethane, propane and butane, respectively. Each distillation

the normal matrix. The algorithm developed for PCA model to estimate column is equipped with the reboiler which provides heat to the

the fault propagation path is given in Fig. 1. The PCA model is column. Dynamic modelling of fractionation process helps in generat-

developed by using the normal operation data which determines the ing the data through computer simulations that represents the dynamics

principal component loadings, principal component scores and the of a real process. It can also be used for analyzing process variables

limits of fault detection indices. The developed model can be further relationship, personnel training and specifying process limitations.

utilized for the process monitoring using real time operational data or it Therefore, dynamic model of NGL fractionation process is developed

can be compared with any hypothetical fault case scenario to estimate to observe the process variable relationships and to generate data.

the fault direction. As fault detection is more accurate in the RS so the

normal process variations are eliminated from the RS of the fault data

to amplify the fault magnitude. The removal of x* ampliﬁes the fault 4.2. Model development and validation

portion of the data as given in Eq. (18).

The dynamic model of NGL fractionation process is developed in the

x = Ξif (18) Aspen HYSYS®(v7.3) which is a commercially available software. The

For an illustrative example, Xi in Eq. (19) represents the fault data simulated model is then validated against the industrial design data of

collected for any fault case scenario containing n and m number of NGL plant to check the accuracy of the model [29,30]. Fig. 2 shows the

samples and variables, respectively. schematic process ﬂow diagram for the simulated design. The feed

stream is fed to the 27th tray (numbered from bottom) of the de-

⎡ x11 ⋯ x1m ⎤ ethanizer column at 54.5 °C. In addition to hydrocarbons, the feed

Xi = ⎢ ⋮ ⋱ ⋮ ⎥ ≡ [x1x2 … xn ]T

⎢x ⋯ x ⎥ stream also contains some impurities like CO2 and H2S which are

⎣ n1 nm ⎦ (19)

removed in the ﬁrst two columns. The bottoms from the de-ethanizer

where xi represents the row vector showing ith sample corresponding to then enter the 22nd stage (numbered from bottom) of de-propanizer

m variables. The projection of these samples on the RS containing the column at 107.3 °C. Finally, the bottom stream from the de-propanizer

ampliﬁed fault data can be achieved from the above Eq. (18) as shown column enters the 20th tray (numbered from bottom) of de-butanizer

in Eq. (20). column at 100 °C. All the distillation columns are installed in series to

T ∼

X͠ i = Ξ i [f1 f2 … fn ] (20)

∼ T

where Ξ i and X͠ i shares the same range space. The covariance matrix of

fault data can be used to analyze the covariance among diﬀerent

variables (σij ) for a particular number of samples using Eq. (3).

⎡ σ11 ⋯ σ1m ⎤

Covariance[X͠ i ] = ⎢ ⋮ ⋱ ⋮ ⎥ = [σij ]i, j =1,2… m

T

⎢⎣ σ ⋯ σ ⎥⎦

m1 mm (21)

T

Performing SVD on the covariance matrix X͠ i and

retaining singular

values can help in transforming correlated variables into un-correlated

T

variables. SVD decomposes the covariance matrix (X͠ ) into product of

three matrices as given in Eq. (22).

T T

X͠ i = UD

i i Vi (22)

represents the diagonal matrix containing nonzero singular values

arranged in descending order and ViT is the transpose of orthogonal

T T T T

matrix such that UUi i = Ui Ui = I and VVi i = Vi Vi = I . The fault direc-

∼

tion matrix can be chosen as Ξ i where the ﬁrst column of the orthogonal

matrix Ui corresponding to the highest eigenvalue in the diagonal

matrix Di represents the maximum variation in the variables as

represented in Eq. (20).

∼

Ξ i = Ui(: , 1) (23)

similar way to extract the fault directions that could be used in future to

identify the particular fault.

process

methodology, it has been applied to the NGL (Natural Gas Liquids)

fractionation process shown in Fig. 2. Natural gas (NG) from the well

contains high concentration of methane and other NGLs. Fractionation

units are employed to increase both the purity of methane gas and to

separate NGLs. Three distillation columns are installed in series to Fig. 1. Algorithm for fault propagation path estimation.

76

U. Ahmed et al. Chemometrics and Intelligent Laboratory Systems 162 (2017) 73–82

Fig. 2. Schematic of NGL fractionation train with the process variable's location used for PCA model development.

achieve high concentration of ethane, propane and butane, respec- the score (red circles) of each sample on PC1 and PC2 for normal

tively. The design speciﬁcations used for modeling the fractionation operation where the blue circle represents the process limits. The

columns are represented in Table 1.The validation of simulated model results show that during the normal operation when all the process

is highly important prior to its use for the statistical analysis. Therefore, variables were within their normal limits, the scores for PC1 and PC2

the simulated model was tuned and converged to achieve the maximum were also within the process limits. The developed model can be

robustness and reliability. Table 2 highlights the comparison between compared with the real plant data for process monitoring. Therefore,

the design values and simulated results. Distillate and bottoms rates, the fault case scenario is generated to monitor the overall process and to

temperature, pressure, composition, reboiler and condenser duties were estimate the fault propagation path in terms of variables. In this study,

calculated to test the accuracy of the model. The results show that the fault data containing ~800 samples (observations) is used that corre-

simulation results and design data are in good agreement with an sponds to the same variables used for data training. Fig. 4 shows the

absolute error of less than 2.5%. Therefore, it can be said that the scores for the fault case scenario plotted on the ﬁrst two principal

developed model is robust and can be used with high conﬁdence for components. As long as the scores are within the limit circle, the

further statistical analysis. process is considered to be normal. However, fault can be detected if

any score is plotted outside the limit circle. The fault can be detected by

5. Fault case scenario using either T2 statistics or SPE index. As SPE control limits include

residual components which mainly represents the noise so the faults

5.1. Fault case scenario for de-ethanizer column with even small magnitudes are easily detectable. On the other hand, T2

has great variance and therefore requires a great change in the system

Fault case scenarios have been generated by manipulating one of characteristic to be detectable [12,31]. Therefore, SPE index is only

the process variable during dynamic simulation to analyze its eﬀect on taken in account in this study to determine the fault propagation path.

the other variables. NGL fractionation process can be aﬀected by The upper conﬁdence limit of SPE index is calculated as 17.61 for a

changing any of the stream ﬂow rates, temperatures, pressures or the normal data using Eq. (11) where the SPE calculated for all the fault

reboiler's heat duty. Any variation in the process variables readily aﬀect samples is represented in Fig. 5. The sample which exceeds the upper

the downstream process variables compared to the upstream variables. control limit in this study is detected as 105 where the contribution plot

The schematic of the fractionation process used in this study is of variables for this sample is represented in Fig. 6. It can be seen from

represented in Fig. 2 where the numerical digits represents the location results that only few variables show their high contribution towards a

of speciﬁc variables deﬁned in Table 3. Twenty six variables are fault which makes it easy to identify the fault variable. For an instance,

selected from various sections of the fractionation unit to record the variable 5-T in this particular example shows the highest contribution

data for both the normal and abnormal operation as shown in Table 3. towards a fault that can be readily detected. It can be also seen from the

Preﬁx and suﬃx are used with the stream numbers to represent the results that SPE index oﬀers a better prediction of fault through

speciﬁc process variables. For an instance, 1-F, 3-T and 12-P represents analyzing variables contribution plot compared to the T2 statistics.

the ﬂowrate, temperature and pressure of 1st, 3rd and 12th stream,

respectively. To illustrate the eﬀect of fault generation by manipulating

5.1.2. Fault propagation path estimation

one variable as an example, the reboiler duty of de-ethanizer distillation

Any fault occurred in a system must be readily identiﬁed followed

column is increased by a step change and the values of all the variables

by a corrective action to bring the process variable back to its normal

are recorded over time. All the process variables are aﬀected by an

limits. If the fault is not instantly removed, it may disturb the rest of the

induced fault and showed variation in their values. An increase in the

system and tend to aﬀect all the associated process variables which

heat duty of the reboiler causes an increase in the stage temperature of

makes the fault detection process even more complex and time

the de-ethnaizer distillation column and also the temperature of down

streams. The results obtained from simulations are further validated

Table 1

through multivariate process monitoring techniques and fault propaga-

Speciﬁcation of fractionation towers.

tion path algorithm is used to estimate the fault direction.

Speciﬁcations Distillation column

5.1.1. Fault detection using fault indices

De-ethanizer De-propanzier De-butanizer

The PCA model is developed using a training data (normal data)

arranged in the form of matrix of 10,000 rows (observations/samples) Feed Pressure (Psig) 362 300 95

and 26 columns (variables). The input data is scaled to zero mean and No of trays 40 45 40

unit variance to generate a model. The number of PC's is decided on the Feed Tray from bottom 27 22 20

Reboiler Pressure (Psig) 360 300 95

basis of overall cumulative variance explained by the principal

Condenser Pressure (Psig) 347 290 85

components. After developing the PCA model, the scores are generated Condenser type Full Reﬂux Total Total

corresponding to each sample and are plotted on PCs. Fig. 3 represents

77

U. Ahmed et al. Chemometrics and Intelligent Laboratory Systems 162 (2017) 73–82

Table 2

Validation of simulation results with the design data.

CO2 5.18% 5.19% −0.01% 0.00% 0.00% 0.00% 0.00% 0.00% 0.00%

H2S 1.15% 1.18% −0.03% 0.21% 0.22% −0.01% 0.00% 0.00% 0.00%

Methane 24.99% 25.00% −0.01% 0.00% 0.00% 0.00% 0.00% 0.00% 0.00%

Ethane 66.17% 63.79% 2.38% 2.99% 4.95% −1.95% 0.00% 0.00% 0.00%

Propane 2.51% 4.85% −2.34% 95.81% 93.87% 1.94% 3.99% 4.10% −0.11%

i-Butane 0.00% 0.00% 0.00% 0.89% 0.93% −0.04% 25.48% 25.45% 0.03%

n-Butane 0.00% 0.00% 0.00% 0.10% 0.04% 0.06% 69.54% 69.76% −0.22%

i-Pentane 0.00% 0.00% 0.00% 0.00% 0.00% 0.00% 0.92% 0.67% 0.25%

n-Pentane 0.00% 0.00% 0.00% 0.00% 0.00% 0.00% 0.06% 0.02% 0.05%

n-Hexane 0.00% 0.00% 0.00% 0.00% 0.00% 0.00% 0.00% 0.00% 0.00%

n-Heptane 0.00% 0.00% 0.00% 0.00% 0.00% 0.00% 0.00% 0.00% 0.00%

Total 100.00% 100.00% 100.00% 100.00% 100.00% 100.00%

Temp (°C) −6.7 −6.7 – 60.6 55.0 – 62.2 56.6 –

Pressure (Psig) – 347 – – 290 – – 85 –

Flow Rate(lbmol/h) 1939.8 1939 – 2394.1 2393 – 2189.6 2190 –

Reboiler Duty (kW) – 14112 – – 15955 – – 10249 –

Table 3

Stream variables used for PCA model and fault case scenario.

2 1-T Stream temperature

3 3-T Stream temperature

4 5-F Stream ﬂow rate

5 5-T Stream temperature

6 6-F Stream ﬂow rate

7 6-T Stream temperature

8 7-T Stream temperature

9 11-P Stream pressure

10 12-P Stream pressure

11 13-P Stream pressure

12 11-T Stream temperature

13 14-T Stream temperature

14 15-P Stream pressure

15 16-P Stream pressure

16 17-T Stream temperature

17 18-P Stream pressure

18 19-P Stream pressure Fig. 3. Score plot of training data on principal components for NGL fractionation process.

19 20-T Stream temperature

20 21-P Stream pressure

21 21-T Stream temperature

22 22-P Stream pressure

23 23-P Stream pressure

24 24-T Stream temperature

25 25-T Stream temperature

26 26-T Stream temperature

projecting each sample on RS. Therefore, the residual matrix containing

the fault data can be formulated in terms of variable's co-relationship.

The residual matrix generated from a fault data is superimposed by the

variations in the normal data. Therefore, the residual matrix of a fault

data is re-scaled with the residuals of the normal data to amplify the

fault eﬀect in the resulting matrix. The covariance matrix of the

resulting matrix is generated to analyze the variation in terms of

process variables. Following the methodology described in Fig. 1, the

SVD analysis is performed on the covariance matrix to extract the fault

direction matrix (U) and the eigenvalues (D). The contribution of all

variables can be evaluated from the U matrix corresponding to the

highest eigenvalues. Fig. 7 represents the contribution of variables Fig. 4. Score plot of fault data on principal components for NGL fractionation process.

corresponding to the highest eigenvalue. The developed methodology

follows an absolute descending order functions to rearrange the variables showing highest contribution towards a fault are automati-

variables according to their hierarchy of contribution as represented cally rearranged in an absolute descending order according to their

in Fig. 8. Moreover, this methodology can also be used to detect the magnitude. The variable showing the maximum contribution is most

fault variable irrespective of using the fault detection indices. The

78

U. Ahmed et al. Chemometrics and Intelligent Laboratory Systems 162 (2017) 73–82

Fig. 9. Score plot of de-propanizer column for monitoring the product purity. (For

interpretation of the references to color in this ﬁgure legend, the reader is referred to the

web version of this article.)

likely to be the fault variable, whereas, the variables which shows least

contribution towards a fault are the least aﬀected. The current

methodology is based on the variation in covariance matrix of the

selected variables due to an induced fault so the causal analysis of fault Fig. 10. Fault propagation path in terms of product purity and column temperature.

79

U. Ahmed et al. Chemometrics and Intelligent Laboratory Systems 162 (2017) 73–82

umns. It can be seen from Fig. 8 that the variables (5-T, 24-T, 25-T, 21-

T, 13-P and 11-P) corresponding to de-ethanzier and de-propanizer

column are more readily aﬀected compared to the other variables.

The results also show that the upstream variables (1T, 1F) are least

inﬂuenced by the fault compared to the downstream variables. It has

been further analyzed that the results of both multivariate statistical

analysis and the dynamic model competes very well with each other

which in turn represents the robustness of both the models. Similarly, a

number of hypothetical fault case scenarios can be analyzed to predict

the eﬀect of any fault on other sections of the process that can further

help in safe and smooth operation of plant.

and gas processing industries for the separation processes. The conven-

tional distillation columns require a reboiler for a heat source which is

considered as a highly energy intensive unit. If the reboiler heat duty is

Fig. 11. Score plot to monitor the ﬂooding in the de-propanizer column. (For interpreta-

not controlled as required by the process, it can aﬀect the stage

tion of the references to color in this ﬁgure legend, the reader is referred to the web

version of this article.) temperatures of the column along with a damage to the column

integrity. Therefore, a high level control system is usually employed

to control the operational parameters and to ensure the safe operation

of the distillation column. In this study, the developed PCA algorithm

has been applied to the de-propanizer section of NGL fractionation

process to monitor the distillation column operation. For a simple

distillation column without any chemical reactions, the temperature of

bottom plates of column is usually higher compared to the top plates

due to the continuous heat supply from the reboiler. Two case studies

have been developed to analyze the eﬀect of reboiler malfunction on

both the purity of product (propane) and the temperatures at various

stages of the column.

Distillation column depends on the reboiler heat duty to maintain

both the operational parameters and to achieve the required purity of

product. Some of the most common malfunctions associated with the

reboilers includes the plugging, pump failure, leakage, surging, fouling

in the heat exchangers and so on [32,33]. All of these factors can aﬀect

the reboiler operation and decreases the heat input to the column which

ultimately aﬀects the purity of product. This case study considered a

scenario in which the reboiler duty drops due to any of the above

Fig. 12. Disturbance propagation path for ﬂooding case in the de-propanizer column. mentioned reasons. Logically, once the reboiler duty goes down, the

heat input to the column decreases causing a change in the temperature

would be an interesting area of research for future studies. at each of the stages which in turn aﬀects the product purity. PCA

The validation of multivariate process monitoring results for fault model has been developed using 12 variables including temperature

detection and fault propagation path estimation can be achieved by (ST42, ST30, ST26, ST19, ST10 and ST5) and propane concentration

relating it with the real processes. There are two ways to validate the (SM45, SM40, SM29, SM25, SM20 and SM15) at diﬀerent stages of the

current methodology. First, analyzing the real industrial process in fault de-propanizer column. For an instance, ST42 and SM45 represent the

situation and detect point to point fault to generate the hierarchy of temperature and propane mole fraction at the stage 42 and 45,

aﬀected variables. This process could be very complex, expensive and respectively. Fig. 9 represents the score plot of distillation column

time consuming because large numbers of process variables are operation on the ﬁrst two principal components where the blue and red

involved. Conversely, computerized simulators can be used to generate points represent the normal and fault operation of the de-propanizer

and analyze the fault case scenarios under normal and ab-normal column, respectively. It can be seen from the results that as the reboiler

situations. In this study, the second methodology is used to estimate the heat duty is decreased due to malfunction, the score plot violates the

fault variables to validate the reasonable eﬀectiveness of the suggested process limits and indicates the fault in the system. The drop in

fault propagation path approach. For an instance, the results obtained reboiler's duty reduces the vapor generation rate which deceases the

from PCA model used for estimating the fault propagation path heat and mass transfer leading to a decline in the temperature of the

methodology indicates that an increase in the reboiler duty of de- column. Due to less heat input in the column, the separation eﬃciency

ethanizer column instantly increases the temperature of stream (5-T) is reduced and results in higher propane concentration at the bottom of

leaving the reboiler followed by an increase in temperature of the column rather than at the top. The next step is then to detect the fault

lowest stage (24-T) of the corresponding column. The similar aﬀect can propagation path in order to ﬁnd the cause of disturbance in the

be analyzed from the distillation column operational principles which product purity. Therefore, the fault propagation path algorithm has

validates the current methodology of multivariate statistical analysis. been applied to the current system to statistically analyze the eﬀect of

Moreover, the increase in reboiler's duty increase the stages tempera- reboiler's malfunction on the process variables. The results of the fault

ture and pressure in de-ethanizer and de-propanizer distillation col- propagation path algorithm for the fault case scenario have been shown

in Fig. 10. The results show that the concentration of propane gas

80

U. Ahmed et al. Chemometrics and Intelligent Laboratory Systems 162 (2017) 73–82

(SM45) is readily eﬀected at the bottom of the column compared to the Furthermore, the current methodology allowed us to readily detect

top stages. Similarly, the temperature distribution results showed that the fault variable irrespective of using the fault detection indices. The

the lower stages (ST42) are more readily aﬀected by a reboiler fault multivariate statistical model is validated by its application on the NGL

compared to the top stages (ST5). Both the results showed that the fractionation process. The current methodology can also be used in

reboiler heat duty readily aﬀects the variables associated with the various process and product development industries to identify the fault

bottom of column as compared to the top section. The fault propagation readily and the fault directions could be used to analyze the impact of

algorithm in this way can identify the area where the disturbance has one fault on other process variables.

been triggered for the timely rectiﬁcation of the fault.

Acknowledgement

5.2.2. Flooding in the distillation column

Flooding is one of the common problem in NGL plant operations This research was supported by the Brain Korea 21 Plus Program in

which can impact the temperature and pressure gradients across the 2017, by Institute of Chemical Processes in Seoul National University,

column [34,35]. Various factors that can cause ﬂooding include the by a Grant (14IFIP-B085984-02) from the Smart Civil Infrastructure

excessive vapor generation at the bottom of column, increased feed Research Program funded by the Ministry of Land, Infrastructure and

ﬂow rate, un-suitable reﬂux rate and so on. Excessive vapor generation Transport (MOLIT) of Korea government and Korea Agency for

case study has been selected to analyze the ﬂooding in the de- Infrastructure Technology Advancement (KAIA).

propanizer column by manipulating the reboiler's heat duty. The

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82

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