Process Integration and Optimization for Sustainability

https://doi.org/10.1007/s41660-024-00458-8

ORIGINAL RESEARCH PAPER

Process Simulations and Analysis of Optimal Naphtha Hydrotreating

Operating Range Parameters: A Case Study in Basra Refinery
Abdulrazzaq S. Abdullah1 · Shahad A. Al‑Behadili2 · Raad Z. Homod3 · Hayder I. Mohammed4

Received: 4 January 2024 / Revised: 26 September 2024 / Accepted: 28 September 2024

© The Author(s), under exclusive licence to Springer Nature Singapore Pte Ltd. 2024

Abstract
The hydrogenation process is crucial in the petroleum industry for improving the quality of petroleum products by eliminating
sulfur and minerals, resulting in increased cleanliness and decreased toxicity. This study utilizes Aspen Hysys software to
mimic the Naphtha Hydrotreating reactor (NHT) and does a thorough sensitivity analysis. The ideal operational parameters
for the NHT are determined by examining key aspects such as feed temperature, pressure, flow rates, reactor diameter, catalyst
quantity, and hydrogen power factor. The reactor feed, preheated in the charge heater, undergoes hydrogenation processes on
the catalyst at a temperature range of 280–310 °C and a pressure of 28.5 bar. The effluent from the reactor, following heat
exchange and condensation in the reactor effluent air condenser and trim condenser, is introduced into a product separator. To
prevent the buildup of ammonium chloride in the air cooler pipes, it is advisable to introduce water to the air condenser. The
results suggest that the ideal temperature is 310 °C, the hydrogen power factor should be 0.3, and the optimal hydrogen flow
rate is 377.5 kg/hr. Crucially, the study results are consistent with data obtained from a refinery in the Basra Governorate,
confirming the numerical model’s accuracy and practical applicability.

Keywords Petrochemical optimization · Catalytic refinement · Sensitivity analysis · Sustainable hydroprocessing ·

Operational excellence in refining

Introduction the presence of sulfur and nitrogen, contribute to air pollution

and many environmental issues, rendering them detrimen-
The phenomenon of industrialization, leading to the emission tal (Abubakar et al. 2020; Padervand et al. 2021, 2019). The
of hazardous substances into the environment, constitutes a catalytic hydrotreating (HDT) process is commonly employed
substantial apprehension. Hydrocarbon fuels, characterized by in the petroleum refining industries to enhance heavy oils by
eliminating contaminants including sulfur, nitrogen, oxygen,
Highlights metal-containing compounds, and polynuclear aromatics. This
► Proposed analysis of the Naphtha Hydrotreating reactor shows is achieved by removing these pollutants. To enhance the qual-
that the ideal temperature is 310 °C. ity yield of the final product, it is essential to perform a com-
► Determined the ideal operational parameters for the NHT.
► Hydrogenation using a catalyst implemented at a range of prehensive analysis of the impact that process conditions exert
280–310 °C and a pressure of 28.5 bar. on HDT (Angeles et al. 2014; Alvarez and Ancheyta 2008;
► Heat exchange and condensation in the reactor are based on an Ancheyta et al. 2005; Adam et al. 2012; Leyva et al. 2012).
effluent air condenser.
► To prevent the buildup of ammonium chloride in the air cooler
pipes introduced water to the air condenser.
1
Chemical & Petrochemical Techniques Engineering
* Raad Z. Homod Department, Basra Engineering Technical College, Southern
[email protected] Technical University, Basra, Iraq
2
* Hayder I. Mohammed South Refineries Company NHT and Catalytic Reforming
[email protected] Unit 3, Basra, Iraq
3
Abdulrazzaq S. Abdullah Department of Oil and Gas Engineering, Basrah University
[email protected] for Oil and Gas, Basra, Iraq
4
Shahad A. Al‑Behadili Department of Physics, College of Education, University
[email protected] of Garmian, Kalar, Kurdistan Region, Iraq

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 Process Integration and Optimization for Sustainability

Amir Samimi et al. (Samimi et al. 2019) achieved sub- advanced optimization techniques to estimate the optimal
stantial advancements and diminished corrosion in NHT reaction kinetic parameters for heavy naphtha hydrodesul-
units with the application of an advanced algorithm. The furization (HDS). The methodologies encompassed genetic
application of dividing wall column (DWC) technology in algorithm (GA), particle swarm optimization (PSO), and
naphtha hydrotreatment (NHT) and isomerization (ISOM) artificial neural network (ANN). The study’s findings indi-
units was discussed by Roomi Kalita and others (Kalita et al. cate that the parameters generated by the Genetic Algorithm
2018). DWCs have demonstrated a substantial reduction in exhibit superior accuracy, yielding the highest correlation
energy consumption, ranging from 20 to 30% lower than coefficient (R2 = 0.9507) relative to alternative methods. In
conventional columns (Kalita et al. 2018). Foroozandeh 2019, Amir Samimi et al. (Samimi et al. 2020) examined the
Amin and his associates (Foroozandeh et al. 2022) effec- efficiency of the Naphtha Hydrotreating unit (NHT) under
tively synthesized NiMo catalysts supported by function- diverse operational situations. An increase in refinery input
alized activated carbon. These catalysts showed extraordi- from 50,000 to 55,000 barrels per day requires a matching
nary effectiveness in the hydrotreatment of heavy naphtha. rise in the inlet temperature of the unit reactor. This mate-
Based on their superior performance compared to typical rial was cited in reference. Abena Owusu-Boakye (Owusu-
industrial hydrotreatment catalysts, they have emerged as the Boakye 2005) performed an investigation on the kinetics
most suitable option for this particular application. By modi- of aromatic hydrogenation (HDA), hydrodenitrogenation
fying CoMo catalysts supported on commercial γ-Al2O3, (HDN), and hydrodesulfurization (HDS). The reaction order
David Pérez-Martínez et al. (Pérez-Martínez et al. 2010) for specific feeds is dictated by the type of feed and the
investigated the impact of acid–base characteristics on the catalyst employed. The reaction order for hydrodesulfuriza-
hydrotreatment of FCC naphtha. This was accomplished by tion (HDS) may vary between 1 and 2.5. Ali Fooladi Toosi
including B, Na, or K in the catalysts. (Fooladi Toosi et al. 2014) utilized modeling and simulation
A complete evaluation of a partial upgrading plan was approaches to investigate hydrotreating reactors in pilot and
carried out by Rahman Gholami et al. (Gholami et al. 2021) industrial facilities under non-isothermal conditions. The
through rigorous process modeling. Within the scope of their research examined critical operational parameters including
work, they developed a conceptual framework that incorpo- feed API gravity, temperature, pressure, and liquid hourly
rated visbreaking, solvent deasphalting, and naphtha hydro- space velocity (LHSV). The study’s findings indicated that
treating as integrative processes for partial upgrading. To the concentration patterns of components in both liquid and
evaluate and analyze the operational efficiency of the heat solid phases were remarkably similar. The study by M. Map-
exchangers located within an NHT plant, Luai M. Al-Hadh- iour (MAPIOUR, M.,, et al. 2010) examined the effects of
rami and his collaborators (Al-Hadhrami et al. 2010) system- temperature, pressure, gas/oil ratio, H2 purity, and LHSV on
atically examined the heat exchangers. Sepehr Sadighi and several variables, including feed vaporization, H2 dissolu-
his associates (Sadighi et al. 2009) designed a flash drum tion, H2 consumption, and the partial pressure of H2 at both
as an element of an independent project. The flash drum the inlet and outlet. The researchers specifically examined
was designed to enhance the HDS separation process and the impact of hydrogen’s partial pressure on the processes of
effectively address particular challenges. The documenta- hydrodesulfurization (HDS), hydrodenitrogenation (HDN),
tion from the cited source (Sadighi et al. 2009) indicates and hydrodearomatization (HDA) in heavy gas oil (HGO).
that the enhanced technique conducted simulation via Aspen This study uses advanced Aspen HYSYS software to
Plus software, resulting in effective problem resolution and introduce a new methodology for simulating the Naphtha
considerable energy savings. The efficiency of a petroleum Hydrotreating (NHT) reactor at the Basra Refinery. A novel
refining facility, particularly in crude oil hydrotreating method involves conducting a comprehensive sensitivity
(HDT), was markedly enhanced by the work of Mohammad analysis to identify and assess the factors that influence the
Alkandari et al. (Alkandari et al. 2017). A comprehensive reactor’s performance. The primary objective is to optimize
model-based analysis of the entire refinery plant was facili- the reactor’s efficiency by identifying the optimal operating
tated by utilizing the Aspen HYSYS simulator. conditions that will effectively reduce the sulfur content of
K.F. Oyedeko et al. (Oyedeko et al. 2022) performed an the final product. In the petroleum refining business, there is
extensive simulation of the Naphtha Hydrotreating (NHT) a significant need for increased efficiency and environmental
unit within a refinery model utilizing Aspen Hysys. The data sustainability. The purpose of this research is to give fresh
indicate a substantial loss of input exergy to the environ- insights into the refining processes and the influence they
ment, quantified at 51.9%, with the stripper column exhibit- have on the environment.
ing a large observed irreversibility of 32.7%. This severe
problem requires immediate attention and corrective meas-
ures must be implemented. Zaidoon M. Shakor and Anfal
H. Sadeiq (Shakor and Sadeiq 2018) employed various
Process Integration and Optimization for Sustainability

Methodology Figure 2 delineates the primary objective of the Naphtha

Hydrotreating unit, which is the purification of the naphtha
The hydrogen recycle compressor facilitates hydrogen gas fraction for utilization as a feedstock in a catalytic reform-
circulation, blending with the incoming feed. Fresh make- ing unit. The Naphtha Hydrogenation reactor converts crude
up hydrogen gas, originating from the catalytic reforming naphtha into more valuable petroleum products. This conver-
unit, is introduced before the product separator. Heavy naph- sion involves the addition of hydrogen to naphtha, leading
tha and hydrogen gas amalgam undergo preheating in the to the formation of additional C-H bonds. These augmented
feed/effluent exchanger, achieving a temperature of 263 °C bonds enhance the stability of the resulting products, miti-
through interaction with the reactor effluent, as illustrated gating the likelihood of deterioration.
in Fig. 1. Subsequently, the reactor feed undergoes further The hydrogenation reactor consists of three main parts:
heating in the charge heater to attain the requisite reaction A hydrogenation chamber is a chamber in which hydro-
temperature before entering the Naphtha Hydrotreating reac- gen is added to naphtha.
tor (NHT). Within the NHT reactor, pivotal hydrogenation Hydrogenation catalyst: A chemical substance helps in
reactions occur on the hydrogenation catalyst at tempera- the hydrogenation reaction.
tures ranging from 280 to 310 °C and pressures of 28.5 bar. Cooling system: It is a system used to cool the resulting
Following heat transfer in the exchanger, the reactor effluent products.
proceeds through the reactor effluent air condenser and reac- Within the hydrotreating unit, there are six primary cat-
tor effluent trim condenser, entering the product separator egories of reactions that are prevalent: the conversion of
at a temperature of 45 °C. To prevent ammonium chloride organic sulfur compounds, the conversion of organic nitro-
deposition in the air cooler pipes, water is introduced before gen compounds, the conversion of organic oxygen com-
the air condenser via the wash water pump from the circula- pounds, the conversion of olefins, the conversion of organic
tion water system (Refinery of Basra documents xxxx). halides, and the conversion of organometallic compounds ().

Fig. 1  Process flow diagram of naphtha hydrotreating process (Refinery of Basra documents n.d.)
 Process Integration and Optimization for Sustainability

Feed entry
Catalyst fixed
bed layer

The output of
products

Fig. 2  Naphtha hydrotreating reactor in the Basra refinery

Microsoft’s Visio is a software application developed kHDS CnH Cm

S
to create and manipulate diagrams. Its primary purpose
2
rHDS =
1 + KH2 S CH2 S
is to construct various graphical representations illustrat-
ing the relationships among components in commercial where
operations, engineering pursuits, and industrial procedures
(“https://​tatbe​ekat.​com”). Its use encompasses the produc-
( )
0 EHDS
kHDS = kHDS exp −
tion of reactor parts and process flow diagrams (PFDs), RT
illustrated in Figs. 1 and 2.
The equation often represents the hydrodesulfurization The application of first-order kinetics is the typical
(HDS) process, where R denotes the hydrocarbon molecule method for depicting the reaction rate of a particular sul-
reacting with sulfur. Petroleum feedstock includes various fur compound. Nevertheless, Girgis, M. J., and Gates, B.
compounds that contain sulfur with that reaction. Con- C. (Girgis and Gates 1991) recommend the utilization of
ventionally, the Langmuir–Hinshelwood format is used nth-order kinetics to the total sulfur content to accurately
to write the reaction rate equation for the HDS process portray the entire desulfurization rate. The experiment
(Cheng et al. 2004). conducted by Sie, S.T. (Sie 1999) determined a reaction
This equation takes into account the inhibitory effect order that fell within the range of 1.94 to 2.18, regardless
of ­H2S. of the sulfur concentrations occurring in the feed. Based
on the chemical dissociation of hydrogen molecules on the
R − S + H2 → R + H2 S catalyst’s surface, the expected reaction order for hydrogen
is 0.5. That said, the reaction order ought to be 1.0 if the
The symbol R is utilized to denote the hydrocarbon
rate of hydrogen transfer turns out to be the limiting factor.
molecule, which undergoes a combination with sulfur. The
In light of this, it is strongly suggested that the value of n
reaction rate equation for the HDS process, incorporating
be somewhere in the range of 0.5 to 1.0 in the context that
­ 2S, is commonly expressed in
the inhibitory influence of H
has been presented.
the Langmuir–Hinshelwood formulation.
Process Integration and Optimization for Sustainability

Table 1  Operating conditions of NHT reactor(Refinery of Basra doc- concerning projects involving petroleum, natural gas, and
uments n.d.) petrochemicals. Both the Peng Robinson equation, used to
Property Unit Value describe the external environment, and the REFSRK equa-
tion, used to describe the program’s internal environment,
Total mass rate kg/hr 32,482
were utilized to define the state of the system. Following
Temperature °C 310
this, the relevant properties of naphtha were included based
Pressure bar 30.5
on the results. After that, several different apparatuses were
Stream phase Vapor
brought into operation, and the NHT reactor received special
Sp. Gr. at 15.6 ℃ 0.728
attention. It is worth noting that the simulation procedure
API. Gr. At 15.6 ℃ 62.8
was exclusively conducted for the reactor equipment, and
other parts of the process were not simulated. This decision
was made based on the reactor’s paramount significance in
Table 2  Basra heavy naphtha Volume (%) T (°C) the overall naphtha hydrotreating process. Therefore, simpli-
assay data (Refinery of Basra fying the simulation process (shown in Fig. 3), including the
documents n.d.) IBP 78 temperature entering the air cooler, was a deliberate choice
5% 90 to prioritize analyzing and enhancing the reactor’s perfor-
10% 100 mance, which is a critical component in the hydrogenation
30% 116 process.
50% 130 Within the Naphtha Hydrotreater interface, the Calibra-
70% 142 tion tab provides users with the capability to systematically
90% 156 organize and execute various data sets, in addition to pro-
95% 162 viding access to calibrated factors that are connected with
EPC 176 each set. The message “Calibration Factors Transferred” is
displayed if a data set that has been transferred is selected.
This is because the data set has been assigned. In the fol-
In Table 1, the physical and chemical parameters of the lowing step, the activity parameters stored in HYSYS are
feedstock for the Industrial NHT Reactor are outlined. These transferred to the Tuning Factors page and the Kinetic Fac-
values were derived using an analysis that utilized primary tors page located within the Simulation tab. Case studies
true boiling point (TBP) and distillation curves (Table 2). provide the opportunity to monitor and study the consistent
When calculating the cut points, the temperatures that define response of significant process variables to changes in the
the borders of the distilled product play a significant role. underlying process. This can be accomplished through con-
The fraction Ta indicates the lower cut point, while the frac- ducting case studies. When effectively incorporating factors
tion Tb represents the higher cut point. into a Case Study, the Variable Manager is shown to be an
invaluable tool (Sahari et al. 2013). This is accomplished
by selecting variables from a specified list. It is essential to
Results and Discussion clarify that the laboratory investigation indicated the absence
of oxygenated or nitrogenous chemicals in the feeding oil.
Simulation of NHT Reactor Therefore, the focus of the study was primarily on desulfuri-
zation processes. Table 3 compares the product units’ base
The use of the Hysys program, which is well-known for its and simulated operating conditions.
intuitive user interface and accurate simulation capabilities,
simplifies the design of chemical plants “https://​www.​aspen​ Effect of Feed Temperature
tech.​com/​en/​produ​cts/​engin​eering/​aspen-​hysys”, (Abdullah
et al. 2024). As shown in Fig. 3, the simulation of the NHT The temperature considerably impacts the effectiveness
reactor was carried out with the assistance of the Aspen of hydrotreating operations, and the degree of this influ-
HYSYS program, which has a wide range of applications ence varies noticeably depending on the approach under

Fig. 3  Aspen HYSYS flowchart

for simulation of the NHT
reactor
 Process Integration and Optimization for Sustainability

Table 3  compares the product’s units’ base and simulated operating 0.75
conditions
0.70
Property Unit Base case Simulated case
0.65
Product temp °C 308 311

Sulfer conc. (ppm wt)

Product Pr bar_g 26 29.4 0.60
Sulfur conc ppmwt 0.5 0.46
0.55

0.50

6 0.45

0.40
5
Sulfer conc. (ppm wt)

0.35
4 26 27 28 29 30 31 32 33
Feed Pressure (bar)
3

Fig. 5  Feed pressure effect on sulfur conc. in product

2

1 content in the products, which decreases from 0.7 to 0.45

ppmwt. This decrease in sulfur content is associated with
0 the ascending pressure. The higher feed pressure is respon-
sible for the observed reduction in sulfur content within the
250 260 270 280 290 300 310
hydrogenation reactor. This is because increasing pressure
Feed Temperature (°C) circumstances improve the solubility of sulfur in hydrogen.
These conditions are responsible for the reported reduction.
Fig. 4  Feed temperature impact on sulfur conc. in product Based on this association, it can be deduced that increas-
ing the pressure of the feeder makes it easier for a more
consideration. An increased desulfurization process effi- significant amount of sulfur to dissolve into the hydrogen,
ciency is depicted in Fig. 4, which covers the temperature ultimately decreasing the concentration of sulfur within the
range of 250 to 275 °C. Approximately 280 °C is the tem- reactor. Using Henry’s law, which asserts that the solubility
perature at which the process begins, and as the temperature of a gas in a liquid is directly proportional to the pressure
increases, the reaction rate dramatically increases. On the of the gas above the liquid, these findings can be physically
other hand, as the temperature reaches 290 °C, the gradual justified. Henry’s law was developed to explain this rela-
reduction of sulfur compounds loses its significance. As a tionship. The use of increased pressure in the context of
result of the increased temperature, the concentration of sul- hydrotreating increases the solubility of sulfur in hydrogen,
fur within the hydrogenation reactor has decreased. This is increasing the amount of sulfur that is dissolved into the
because sulfur exhibits decreased stability when exposed hydrogen stream. The linear drop in sulfur concentration that
to higher temperatures, which results in its reaction with occurs with increasing pressure is elucidated by this discov-
hydrogen and the consequent creation of hydrogen sulfide. ery, which represents fundamental principles of gas–liquid
The physical justification of these results is consistent with equilibrium. These principles state that increased pressure
the fundamental laws of chemical processes, which state that conditions promote more efficient interactions between gas-
a rise in temperature speeds up reaction rates, making it eas- ses and liquids.
ier for successful collisions. An indication of saturation in
reaction dynamics is the observation of diminishing returns The Hydrogen Flow Rate Affects the Sulfur Content
when a specific temperature threshold has been reached. in Product
This is to the established principles of reaction kinetics and
thermodynamics. In Fig. 6, an increase in the flow rate of hydrogen gas from
300 to 400 kg/hr corresponds to a linear decrease in sulfur
Effect of Feed Pressure concentration from 0.85 to 0.5 parts per million by weight
(ppmwt). The observed reduction in sulfur concentration
Figure 5 illustrates that the incremental increase in pressure within the hydrogenation reactor is ascribed to the height-
from 26 to 32 bar is related to a linear drop in the sulfur ened hydrogen flow rate in the feeder. This phenomenon can
Process Integration and Optimization for Sustainability

Fig. 6  Effect of hydrogen flow

on sulfur conc. in product 0.85

0.80

0.75

Sulfer conc. (ppm wt)

0.70

0.65

0.60

0.55

0.50

0.45
300 350 400
H2 flow (kg/hr)

be elucidated by establishing a more reactive environment, findings aligns with reaction kinetics principles, where a
wherein the increased concentration of hydrogen molecules decreased residence time for the hydrogen-sulfur reaction
enhances the efficacy of the chemical reaction responsible adversely affects hydrogenation efficiency due to limited
for sulfur removal from the molecules. Physically justifying time for effective interactions, leading to increased sulfur
these findings aligns with reaction kinetics principles, where concentration with higher feed oil flow rates.
an augmented concentration of reactants promotes a higher
reaction rate. In the hydrotreating context, the elevated flow Effect of the Internal Diameter
rate of hydrogen gas results in a more concentrated pool
of hydrogen molecules, fostering a more reactive environ- With a diameter ranging from 1.1 to 1.7 m, Fig. 8 visu-
ment and, consequently, a more efficient sulfur removal ally represents the effect that increasing the NHT reac-
process. This observation reflects the fundamental influence tor’s diameter has on the sulfur concentration. The internal
of reactant concentration on reaction efficacy in chemical diameter has a substantial impact on the amount of sulfur
processes. that is present in the product, demonstrating that there
is an inverse relationship between the diameter and the
Effect of Naphtha Flow Rate percentage of desulfurization that is achieved. A smaller
internal diameter results in a higher gas velocity, reduc-
Figure 7 depicts that as the flow rate increases from 3000 to ing the time the feed and catalyst are in touch with one
3200 kg/hr, there is a slight rise in sulfur concentration in the another. This, in turn, leads to a reduction in the efficiency
product; however, beyond 3300 kg/hr, a significant increase of the desulfurization process. Further affecting the effec-
in sulfur concentration occurs. The observed inverse rela- tiveness of the desulfurization process is the possibility
tionship between the feed oil flow rate and sulfur concentra- that a smaller diameter may result in an uneven distribu-
tion exiting the hydrotreating reactor indicates that as the tion of the feed and the catalyst. At the other end of the
flow rate of the feed oil increases, there is a corresponding spectrum, a higher diameter is linked to a decrease in gas
decrease in the residence time for the hydrogen-sulfur reac- velocity and an improvement in the uniformity of the dis-
tion. This reduction in residence time diminishes hydrogen- persion of feed and catalyst, which collectively leads to
ation efficiency, ultimately resulting in an elevated sulfur an increase in desulfurization efficiency. Considerations
concentration in the end product. Physically justifying these
 Process Integration and Optimization for Sustainability

Fig. 7  Effect of feed flow on

sulfur conc. in product

0.0002

Sulfer Conc. (ppm wt)

0.0001

0.0000

30000 32000 34000 36000

Petroleum flow (Kg/hr)

Fig. 8  Effect internal diameter 2.36E-005

on sulfur conc. in product
Sulfur Conc. (ppm wt)

2.36E-005

2.35E-005

1.0 1.2 1.4 1.6 1.8

Internal Dia. (m)

of fluid dynamics, in which a smaller diameter increases Effect of the Weight of the Catalyst
gas velocity, thereby reducing interaction time, and mass
transfer principles, in which the diameter affects the dis- As shown in Fig. 9, the influence of catalyst weight in a
persion of reactants and catalyst, thereby affecting des- naphtha hydrotreating reactor positively impacts the con-
ulfurization efficacy, are required to provide a physical centration of sulfur in the product produced due to the reac-
justification for these observations. tion. This phenomenon is caused by the increased quantity
of catalyst, which results in an increased number of active
Process Integration and Optimization for Sustainability

0.00003

135

0.00002

Sulfur Conc. (ppm wt)

Sulfur Conc. (ppm wt)

130

0.00001
125

0.00000
120

0.2 0.4 0.6 0.8 1.0

480 500 520
H2 power factor
catalyst loading (kg)
Fig. 10  The impact of hydrogen power on sulfur content
Fig. 9  The impact of catalyst weight on sulfur concentration

sites for the desulfurization reaction. During this reaction, a positive association between the hydrogen order (which
sulfur atoms form bonds with the catalyst’s surface, form- can range from 0.3 to 0.4) and the consumption of sulfur
ing hydrogen sulfide (­ H2S). The catalyst’s role in enabling compounds that correspond to it. When the exponent is more
this conversion is reflected in the fact that hydrogen sulfide than 0.8, there is a reduction in the consumption of sulfur,
is removed from the stream of the final product. Determin- which leads to an increase in the amount of sulfur present in
ing the quantity of catalysts considers several criteria, such the goods. This discovery highlights the delicate interplay
as the feedstock’s sulfur content, the desired sulfur level, between hydrogen concentration and the overall kinetics
and the operational parameters. In general, there is a cor- of the hydrodesulfurization reaction. It also highlights the
relation between an increase in the weight of the catalyst necessity of adopting a balanced approach to guarantee both
and a decrease in the concentration of sulfur in the product cost-effectiveness and efficiency in the hydrotreating pro-
produced. cess. To provide a physical justification for these findings, it
Nevertheless, it is of the utmost importance to recognize is necessary to consider reaction kinetics, catalyst behavior,
a threshold beyond which the addition of additional catalyst and principles of cost optimization.
results in diminishing returns, degrading the overall effi-
ciency of the process. To provide a physical justification for Optimum Operating Conditions
these results, it is necessary to consider catalytic kinetics and
mass transfer. The quantity of the catalyst affects the active Within the HYSYS software platform, the optimization of
sites for reactions and the elimination of byproducts, which operational parameters for a naphtha hydrotreating reactor
contributes to the hydrotreating process’s effectiveness. depends on the specific properties of the input materials and
the specification requirements sought for the final product.
Effect of Hydrogen Power The following table (Table 4) illustrates how the HYSYS
software was utilized in optimizing the Naphtha Hydrotreat-
The hydrogen input rate in a naphtha hydrotreating reac- ing (NHT) reactor. The concentration of sulfur at the out-
tor substantially impacts the desulfurization reaction. An let was determined to be the objective function. The limits
increase in the power of the hydrogen feed leads to a rise
in the desulfurization process’s efficiency by increasing
the response’s driving force. As a result of this increase in Table 4  Operating conditions for optimized NHT reactor
the hydrogen feed rate, coke deposition on the catalyst is Property Unit Value
effectively mitigated, which ensures that the catalyst will
Feed temperature °C 310
have longer reactivity and life. However, the increased
Feed pressure bar_g 29.3
hydrogen supply rate also increases operational expenses
Hydrogen flow kg/hr 377.5
for the hydrotreating facility. This calls for a delicate bal-
H2 power factor 0.3
ance between the efficiency of desulfurization and the
Sulfur conc. in product ppm wt 2.18 × ­10−5
optimization of costs. The data shown in Fig. 10 reveals
 Process Integration and Optimization for Sustainability

specified for the optimization process were defined to estab- 7. The optimal hydrogen power range lies between 0.3 and
lish a balanced approach between feedstock composition and 0.4, significantly reducing the sulfur concentration to its
intended product characteristics. Recognizing the dynamic lowest possible level.
nature of hydrotreating operations, in which ideal parameters 8. The optimum conditions were the hydrogen flow rate
depend on individual feedstock compositions, and the flex- of 377.5 kg/hr, feed temperature of 310 °C, and feed
ibility of HYSYS software in iteratively determining tailored pressure of 29.3 bar, coinciding with a drop in sulfur
operational conditions is necessary to provide a physical concentration to a value of 2.1 × ­10−5.
justification for these statements. The fact that constraints
are mentioned highlights the software’s ability to traverse Potential future research includes refining the optimiza-
difficult trade-offs, which guarantees the practicability and tion process for the Naphtha Hydrotreating reactor (NHT)
feasibility of the optimized hydrotreating process. simulation, exploring alternative tools, and assessing emerg-
ing technologies. Experimental validation, economic anal-
250 ≤ feed temp. ≤ 310.
ysis, and environmental impact assessment are crucial for
evaluating feasibility and sustainability. Scaling up findings
26 ≤ feed pr. ≤ 32. and addressing challenges in process scale-up represent
additional avenues for future investigation.
300 ≤ hydrogen f low ≤ 400.

0.15 ≤ hydrogen power ≤ 1

Declarations
Conflict of Interest The authors declare no competing interests.

Conclusion
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of naphtha hydrotreating process in an Iranian refinery. Pet Coal author(s) or other rightsholder(s); author self-archiving of the accepted
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