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1. INTRODUCTION
Notwithstanding the current concerns related to the environmental impacts caused mainly
by industrial processes, the world has notoriously taken steps towards an alarming situation,
especially with regard to global warming and the negligent exploitation of natural resources.
In fact, the amount of greenhouse gases (GHGs) has increased significantly, while the misuse
of natural resources has resulted in immeasurable effects on the environment.
In light of this, numerous countries have met in order to present engaging proposals
regarding sustainable development, as in the case of Brazil, for instance, that established the
so-called “National Plan on Climate Change” (PNMC) in 2009, which settles the country’s
compliance with international agreements and assures its duty into reducing GHG emissions
(MMA, 2015). Hence, developing strategies that balance both economic growth and
environment preservation has increasingly been the object of organizations that aim at
sustainable development, particularly when it comes to industrial activities.
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XX ENMC e VIII ECTM
16 a 19 de Outubro de 2017
Instituto Politécnico Universidade do Estado do Rio de Janeiro – Nova Friburgo - RJ
In this context, this paper presents a study related to the relevance of the economic and
environmental evaluation of industrial processes. To this end, two different cumene
production processes are compared in terms of their respective eco-indicators (energy
consumption, CO2 emissions and water consumption) and total annualized costs.
2. LITERATURE REVIEW
This section presents the literature review regarding the cumene production processes, as
well as the relevance of both economic and environmental analysis for the industry.
Process intensification refers to a strategy for reducing the size of an industrial plant,
which is achieved by specifically designing equipment to blend unit operations (e.g. reactive,
distillation, static mixing, microchannel heat exchange, etc.) in order to reduce not only
utilities requirements but also the production costs (Stankiewicz & Moulijn, 2000). For this
reason, such strategy has been more and more used by the industries in their processes.
An example to be pointed out is the cumene production, which can be enthrallingly
performed by reactive distillation (RD). As discussed by Batista et al. (2014), the cumene is
produced by a modified Friedel-Crafts alkylation, as represented by Eq. (1), which can be
undesirably followed by the formation of p-diisopropylbenzene (PDIB), as shown in Eq. (2).
C6 H 6 C3 H 6 C9 H 12 (1)
C9 H 12 C3 H 6 C12 H 18 (2)
According to Pathak et al. (2011), the formation of PDIB can be partially overturned by
carrying out such operation in a RD column, since a third reaction corresponding to the PDIB
transalkylation occurs, as represented by Eq. (3). The use of a RD column not only results in a
much more compact plant layout but also increases the process’ yield, since such system
merges both reaction and separation processes in a single equipment, with a more efficient
energetic use and less occupied ground space.
3. METHODOLOGY
This section discloses the methodology used for simulating the conventional (process A)
and RD (named “process B” hereafter) cumene production processes and the utility systems,
determining their eco-indicators and estimating their total annualized costs (TACs).
The cumene production plants studied in this paper, as well as the utility systems, were
simulated in AspenTech’s Aspen Plus® V8.8 software. The simulations were performed in a
Laptop Intel® Core™ i7 at 2.0 GHz with 8 GB RAM and 1TB hard drive, in Windows 8.1
operational system. A more detailed description of the simulated cumene and utility plants is
disclosed in Sections 4.1 and 4.2, respectively.
3.2. Eco-indicators
The value of 0.0227 tCO2/GJ corresponds to the average CO2 emissions related to
electricity generation in Brazil, in 2016. One should note that Batista et al. (2014) not only
used the 2013’s conversion factor and simulated the processes in an old version of a different
software (UniSim® R390) but also did not simulated the utilities plant. Therefore, it is
believed that the results obtained in this work are more complete and accurate.
Finally, the water consumption eco-indicator is calculated by determining the total
amount of water (make-up) required to compensate the losses in the processes and in the
utilities plant and dividing the result by the total equivalent production rate of each process. In
this regard, it is firstly necessary to determine the water/steam requirements for each heat
exchanger, which is automatically performed by the Aspen Plus’ utility function. In fact, it is
Anais do XX ENMC – Encontro Nacional de Modelagem Computacional e VIII ECTM – Encontro de Ciências e Tecnologia de Materiais, Nova
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XX ENMC e VIII ECTM
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Instituto Politécnico Universidade do Estado do Rio de Janeiro – Nova Friburgo - RJ
only necessary to specify the equipment inlet and outlet conditions for each utility, as
disclosed in Table 2, so that the software can estimate the circulating flow rates.
It should be highlighted that, according to Turton et al. (2012), only latent heat must be
taken into consideration when steam is used as heating source. Therefore, if HPS is entering
the equipment at 254º C, for instance, it should leave it at approximately the same
temperature, since no sensible heat is exchanged. Furthermore, Luyben (2010) stated that the
tubular reactor in the conventional process (named “process A” hereafter) is cooled by BFW
and, due to the heat exchange, HPS is produced. In this paper, as in Luyben (2010)’s work,
such steam was considered to be exported to generate profit.
After calculating the water and steam requirements of each equipment, the losses
associated to both processes and utility systems must be quantified, as presented in Table 3.
Subsequently, both the requirements and the losses are specified in the simulation of the
utility systems, which are described in detail in Section 4.2. Finally, the software calculates,
through energy and mass balances, the required make-up flow rates.
The economic analysis of both processes was carried out by calculating both CAPEX and
OPEX and specifying a hypothetical payback period (PB) of 3 years, as used by Luyben
(2010) and Pathak et al. (2013). Thus, it was possible to estimate the TAC for each
technology from Eq. (4).
CAPEX
TAC OPEX (4)
PB
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The TACs presented in this paper were calculated with the aid of AspenTech’s Process
Economic Analyzer V8.8 with basis on updated utility prices and currencies. Moreover, the
equipment sizes used in the CAPEX estimation were the same as presented by the reference
authors. Nevertheless, some other assumptions required for calculating the OPEX were
considered, as shown in Table 4.
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their equipment parameters and stream conditions, are provided by Luyben (2009) and Pathak
et al. (2011), respectively.
In order to facilitate the estimation of the water consumption eco-indicator, both cooling
water and steam generation systems were simulated according to Turton et al. (2012), as
illustrated Figs. 3 and 4, respectively. It is worth mentioning that such simulations and the
same procedure for calculating the water make-ups were carried out for both cumene
processes.
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In the flow diagram presented in Fig. 3, cooling water (CW) is sent to the process’
coolers and condensers and then mixed with a water make-up stream prior to being recycled
to a cooling tower CT-501. Subsequently, the cooled water is pressurized and sent back to the
process. The total CW circulating flow rate required in the coolers and condensers is specified
in stream “CW”, while the losses disclosed in Table 3 are specified in the respective streams.
In the flow diagram presented in Fig. 4, high pressure steam (HPS) is generated in a
boiler CL-601 and sent to the process’ heaters and reboilers. The resulting condensate is
mixed with a make-up water stream and sent to a deaerator DS-601, which removes
impurities from the water in order to avoid equipment fouling and corrosion. Subsequently,
the boiler feed water (BFW) is sent back to the boiler. In addition, if a BFW-cooled
equipment is present (e.g. process A’s reactor), part of the BFW stream is used as cooling
utility. The total HPS circulating flow rate required in the heaters/reboilers and the BFW
circulating flow rate required in the reactor are specified in streams “HPS” and “BFW”,
respectively, while the losses disclosed in Table 3 are specified in the respective streams.
5. RESULTS
This section presents the results obtained for the main streams, as well as for the eco-
indicators and the total annualized costs of each process.
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The results for the main process streams are disclosed in Table 5, from which it can be
inferred that the total production rates of processes A and B correspond to the mass flow rate
of stream “Cumene”, that is, 11.06 t/h and 12.05 t/h, respectively.
The results for the utility streams are disclosed in Table 6, from which it can be verified
that the total make-ups for processes A and B are 42.46 m3/h and 21.14 m3/h, respectively.
By adding up all energy stream values given from simulation and following the IPCC
(2006) guidelines for converting energy use to CO2 emissions, it was possible to determine
the energy consumption and CO2 emissions eco-indicators for each process, as presented in
Table 7. Furthermore, regarding the water consumption, the eco-indicator could be easily
determined from the total make-up flow rates disclosed in Table 6, as presented in Table 8.
Anais do XX ENMC – Encontro Nacional de Modelagem Computacional e VIII ECTM – Encontro de Ciências e Tecnologia de Materiais, Nova
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From Table 8 it is possible to verify that, for 1 ton of product formed, process A
consumes 1.93 GJ (62%) more energy, emits 0.15 ton (31%) more CO2 and consumes 2.08
m3 (54%) more water than process B, which is, therefore, the most ecologically friendly.
From the assumptions described in Section 3.3 it was possible to determine the capital
and operating expenditures for both processes A and B. Hence, it was possible to estimate the
total annualized costs from Eq. (4), as shown in Table 9, from which it can be verified that,
for 1 year of operation, the TAC of process A is US$ 43.9 (26.8%) greater than process B’s.
The TACs for processes A and B were estimated by Luyben (2010) and Pathak et al.
(2013), respectively, without taking into account the utilities plant and other general expenses
such as the number of shifts and operators, overhead costs, maintenance costs, taxes and
insurance, among others. In addition, one should note that, unlike both Luyben (2010) and the
present paper, Pathak et al. (2013) did not take into account the raw materials costs in their
calculations and, for this reason, the TAC estimated by said authors is much lower.
Anais do XX ENMC – Encontro Nacional de Modelagem Computacional e VIII ECTM – Encontro de Ciências e Tecnologia de Materiais, Nova
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6. CONCLUSION
The comparison between the conventional and reactive distillation cumene production
technologies studied in this paper demonstrated that the latter (process B) is more
environmentally economically attractive than the former (process A). The results showed that,
for 1 ton of cumene produced, process B consumes 1.93 GJ (62%) less energy, emits 0.15 ton
(31%) less CO2 and consumes 2.08 m3 (54%) less water than process A. In addition, the
economic analysis of both processes, carried out by estimating their TACs with basis on their
respective CAPEX and OPEX, showed that the process B’s TAC is US$ 43.9 (26.8%) lower
than the process A’s.
Hence, it was also possible to demonstrate the usefulness of computational simulation in
estimating process parameters and comparing different technologies in a relatively cheap
basis. In this regard, one can infer that process simulation is a convenient tool for assisting in
decision-making tasks (i.e. choosing the most suitable plant configuration).
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