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Article

Technical and Economic Evaluation of Bioactive Compounds from Schinus terebinthifolius Using Supercritical Carbon Dioxide

1
Engineering of Chemical and Biochemical Processes, Chemistry School, Federal University of Rio de Janeiro, Rio de Janeiro 21941-902, RJ, Brazil
2
Institute of Technology in Foods and Beverages, University Center SENAI/CIMATEC, Salvador 41650-010, BA, Brazil
3
Computacional Modeling and Industrial Technology, University Center SENAI/CIMATEC, Salvador 41650-010, BA, Brazil
4
Institute of Innovation in Health Advanced Systems (CIMATEC ISI SAS), University Center SENAI/CIMATEC, Salvador 41650-010, BA, Brazil
5
Pharmaceutical Sciences Departament, Federal Rural University of Rio de Janeiro, Seropédica 23897-000, RJ, Brazil
6
Chemical Engineering Department, Federal Rural University of Rio de Janeiro, Seropédica 23897-000, RJ, Brazil
*
Author to whom correspondence should be addressed.
Appl. Sci. 2023, 13(21), 11897; https://doi.org/10.3390/app132111897
Submission received: 8 September 2023 / Revised: 15 October 2023 / Accepted: 17 October 2023 / Published: 31 October 2023
(This article belongs to the Special Issue Supercritical Fluid Technology: Applications and Opportunities)

Abstract

:
This study evaluated the technical and economic feasibility of using supercritical CO2 extraction for the production of bioactive compounds from Schinus terebinthifolius. Supercritical fluid extraction techniques employing carbon dioxide were employed to extract valuable compounds from S. terebinthifolius. The extraction was performed under different operating conditions, showing an increase in yield with higher pressures and temperatures. The bioactive compounds in the extract demonstrated significant potential in terms of their antioxidant and antimicrobial properties, making them valuable for applications in food preservation. The economic evaluation revealed a positive net present value (NPV) and favorable return on investment (ROI) within a two-year timeframe. The break-even point was determined to be below 25% production capacity, supporting the economic feasibility of the process. Overall, the utilization of supercritical CO2 extraction for bioactive compounds from S. terebinthifolius offers a sustainable and environmentally friendly extraction method while ensuring the extract’s integrity and quality. Although the operational costs and extractor contributions require consideration, the findings support the economic viability and commercial potential of this technique. Further research and development can enhance the efficiency and cost-effectiveness, making it an attractive option for various commercial applications.

1. Introduction

Data on the scale-up and production cost of extracts obtained under supercritical conditions are lacking in the literature. This information is crucial for promoting technology transfer to an industrial scale. Given Brazil’s rich biodiversity and the potential to add value without degrading the environment, an economic analysis of the process with supercritical fluid is important for providing information on the installation of an industrial unit in the country [1].
Plants have been used since ancient times for the treatment of various infectious diseases, some of which have evolved into conventional therapies for a range of ailments. Over the past decade, there has been significant interest in natural remedies, spanning both developing and developed countries [2]. As a result, herbal medicines are now readily available, not only in pharmacies but also on the shelves of supermarkets and food stores. Researchers have extensively studied different parts of these plants, including their fruits, roots, flowers, and leaves, to investigate their various pharmacological properties, such as antianxiety, antidepressant, diuretic, antimicrobial, cytotoxic, antihyperlipidemic, cardio-protective, analgesic, anti-inflammatory, anthelmintic, antihyperglycemic, antihepatotoxic, antiurolithiatic, antistress, antiulcer, anticancer, hepatoprotective, anthelmintic, immunomodulatory, and antioxidant effects [3].
The scientific and technological interest in S. terebinthifolius fruits spans various facets, including its therapeutic potential, antioxidant and antimicrobial activities, and its relevance in pharmaceutical applications and agricultural production systems, where it contributes to natural defense mechanisms. Bioactive compounds, which are prevalent in natural sources, play a pivotal role by exhibiting reported biological effects and being instrumental in preventing diseases associated with oxidative stress [4].
The utilization of plants holds a prominent place in Brazilian folk medicine, a reservoir of knowledge accumulated through generations of native populations. Among the extensive array of native plant species in the country, Schinus terebinthifolius Raddi from the Anacardiaceae family, commonly known as pink pepper, has multifaceted biological activities that exhibit potential applications in addressing various conditions, including ulcers, arthritis, rheumatism, wound healing, and even cancer [5,6,7]. This underlines the significant potential for exploring and commercially harnessing S. terebinthifolius due to its medicinal, cosmetic, and culinary attributes.
Moreover, S. terebinthifolius contains compounds endowed with antimicrobial properties, rendering it efficacious against specific bacterial and fungal strains. Numerous studies have unveiled the antimicrobial prowess of S. terebinthifolius essential oil against a spectrum of bacteria and yeast strains [8,9,10,11]. Additionally, dried fruits and extracts have demonstrated antimicrobial effects against foodborne pathogens such as E. coli and Salmonella. Nevertheless, further research is required to comprehensively comprehend its antimicrobial properties and explore its potential applications.
The extraction technique employed in obtaining natural product extracts directly influences the final composition and quality of the extracts. The extraction procedure is determined by the class of compounds to be extracted and the objective of the process (whether it is quantitative or qualitative). In other words, the process yield and extract composition depend on both the solvent used and the extraction method applied [12].
Conventional extraction techniques using organic solvents, such as ultrasound and Soxhlet extraction, are commonly applied in the chemical, pharmaceutical, and food industries to obtain various extracts. These techniques can utilize a wide range of solvents, including methanol, hexane, chloroform, ethyl acetate, acetone, and ether. However, these techniques involve high energy costs and may degrade thermally sensitive substances due to the use of high extraction or separation temperatures, depending on the boiling point of the solvent [13,14].
Supercritical fluid extraction (SFE) using carbon dioxide is a widely employed technique for extracting oils and compounds from plants, including S. terebinthifolius. This method offers an environmentally friendly approach by pressurizing and heating CO2 to its supercritical state, ensuring the efficient extraction of the desired compounds from the plant material while minimizing degradation. Compared to conventional methods, SFE eliminates the need for chemical solvents and results in a high-quality product with improved flavor and aroma profiles. Moreover, the use of supercritical CO2 in the extraction process preserves the natural chemical composition of the extract and enhances its stability [13,15]. Overall, SFE with carbon dioxide is a promising and sustainable extraction method for obtaining valuable compounds from S. terebinthifolius.
The objective of this study was to conduct a technical and economic evaluation of the production of bioactive compounds from Schinus terebinthifolius using supercritical CO2. In light of the findings, it can be concluded that the utilization of supercritical fluid extraction techniques, specifically employing carbon dioxide, holds immense potential for extracting valuable compounds. This approach provides a sustainable and environmentally friendly extraction method and ensures the preservation of the integrity and quality of the extract. Consequently, it is a highly advantageous option for industrial-scale production and various commercial applications.

2. Materials and Methods

2.1. Materials

Samples of S. terebinthifolius were collected in Volta Redonda (Rio de Janeiro, Brazil). The plant was previously identified and deposited at “Herbário RBR” of the Federal Rural University of Rio de Janeiro under code number 35.791. After harvesting, the samples were cleaned to remove leaves, branches, debris, and dust. The pepper fruits were then stored in transparent polyethylene packaging at −2 °C until the drying process. The raw material presented 9.55 ± 0.25%(w/w) of moisture, determined according to the 950.46B method of AOAC [16]. The dried S. terebinthifolius fruits were ground in a domestic blender and then stored at −18 °C until the extractions were performed.

2.2. SFE Process—Laboratory Scale

The experimental apparatus, as shown in Figure 1, for obtaining S. terebinthifolius fruit extracts with supercritical carbon dioxide is located at the Laboratory of Extraction and Purification of Natural Products (GIPQ) and is composed of a 32 mL 316S stainless steel extractor, with 260 mesh screens at the top and bottom to prevent the passage of any material, preventing clogging of the line. The extractor was coupled to a thermostatic bath to control the temperature during the extraction process. A high-pressure pump (Teledine Isco), specific for pumping CO2, was responsible for feeding the solvent. The average flow of CO2 was approximately 23.5 mL/min. The extraction occurred dynamically, and the products were extracted every 10 min until saturation was reached. The extraction times were 180 min at 90 bar and 40 °C and 200 min at 90 bar and 60 °C.
The effects of the independent variables, temperature, and pressure in the extraction of extract from the S. terebinthifolius fruits were evaluated using a central composite rotatable design (CCRD). This was a 22 design, including 4 trials in the axial conditions and 3 repetitions in the central point, totaling 11 tests. In this study, only two samples were selected for the chromatographic and microbiological analysis. Table 1 shows the pressures and temperatures used in this work as the coded and real levels.

2.3. SFE Process—Simulation

The extraction of the extract using supercritical CO2 process (Figure 2) was simulated using the Aspen Plus process simulator. Two simulations were conducted—one replicating the laboratory experiment and the other aimed at scaling up the process to an industrial-scale plant.
The simulation equipment calculations were performed using the Peng–Robinson thermodynamic model. This choice was made due to its simple implementation and extensive applicability, as it only requires widely accessible parameters such as the critical pressure, critical temperature, and acentric factor. The S. terebinthifolius extract’s composition was defined by specifying the constituent compounds, including their molecular structures, normal boiling temperature, enthalpy of vaporization, and enthalpy of formation, obtained from the NIST database.
To simulate the laboratory experiment with a processing capacity of 2.5 × 10−3 kg/h, the following equipment was utilized: an adiabatic compressor, a shell-and-tube heat exchanger, and a separator. The compressor was employed to pressurize the carbon dioxide stream from 60 (storage pressure) to 90 bar. Subsequently, the CO2 stream passed through a heat exchanger to reduce its temperature from 65.8 °C (cylinder-stored CO2 temperature) to 40 °C, which is optimal for extraction at a pressure of 90 bar. Similar data were used to define the CO2 and H2O. The solid fraction of the biomass (process waste) was defined using data obtained from Vassilev et al. [17] for all varieties of biomass listed in Table 2.
The extraction simulation was performed using a mathematical separator, with the laboratory experiment yield of 0.152% (extract mass/biomass mass) serving as a reference.
Subsequently, the simulation was scaled up to an industrial-level plant with a biomass processing capacity of 15 kg/h, following the same methodology. The simulations were conducted to evaluate the energy and cold utility consumption of the process, as well as the sizing of heat exchangers at both laboratory and industrial scales.

2.4. Extracts Characterisation and Antimicrobial Activity

The chromatographic analyses were carried out at the Analytical Center of the Institute of Chemistry of the Federal Rural University of Rio de Janeiro. A 5890 Series II Gas Chromatograph (Agilent, USA) was used, equipped with a flame ionization detector, and an injector in “split” mode (1–20) was used to separate and detect the constituents of the S. terebinthifolius extracts. The substances were separated on a fused silica capillary column (Fact Four VF-5ms, 30 m × 0.25 mm × 0.25 μm, Agilent J&W). Helium was used as a carrier gas with a flow of 1 mL min−1. The oven temperature was programmed at 60 °C for 2 min, with an increment of 5 °C min−1 to 110 °C, followed by an increment of 3 °C min−1 to 150 °C and, finally, followed by an increment of 15 °C min−1 to 290 °C, maintained for 15 min. The injector and detector temperatures were 220 and 290 °C, respectively.
The gas chromatograph coupled to the QP-2010 Plus mass spectrometer (Shimadzu, Japan) was used to separate and analyze the substances present in the extract from the S. terebinthifolius fruits. The helium flow, capillary column, and temperature programming for the GC-MS analysis were the same as described for the GC-DIC analysis. The injector and interface temperatures were 220 and 250 °C, respectively. The mass spectrum was obtained in a quadrupole detector operating at 70 eV, with a mass range between 40 and 400 m/z and a ratio of 0.5 scan s−1.
The identification of the extracts constituents was performed based on the comparison of the calculated retention indices [18] and the mass spectra obtained with those described in the literature [19] and in the equipment database (NIST Library 2008).
The antimicrobial activity of the extracts was evaluated according to the National Committee for Clinical Laboratory Standards [20] and Koo et al. [21] through the investigation of the MIC (minimum inhibitory concentration) against the strains of Staphylococcus aureus (ATCC 6338) and Escherichia coli (ATCC 8739). Bacterial samples, transferred from frozen stocks at −20 °C, were seeded on brain heart infusion (BHI) agar and incubated in a bacteriological incubator (Quimis, Brazil) at 37 °C for 24 h, after which they were cultivated in BHI agar plates for inoculum preparation. The biomass was removed and suspended in a sterile NaCl solution (0.89%), homogenizing the bacterial suspensions until obtaining turbidity equivalent to the standard 0.5 of the McFarland scale (1.5 × 108 CFU·mL−1). Then, 30 μL samples of bacterial suspensions were inoculated into 30 mL of BHI medium. For the MIC irrigation, the initial inoculum was 1–2× 105 CFU.mL−1 and the oil concentrations ranged from 1600 to 3.125 μg. mL−1. The results were observed after the addition of 40 μL of resazurin solution (100 μg·mL−1) with reincubation at 36 °C for 2 h. The blue color on the microplates did not follow the growth of the investigated microorganisms, while the pink color showed bacterial growth.

2.5. Economic Evaluation

An evaluation of the economic feasibility of the process was performed with a scale-up process based on the experimental and simulation methodology. We used the balance of plant (BOP), the carbon dioxide compression unit, and a battery of heat exchangers to achieve the operation conditions of the process. The supercritical separation unity was projected with a supercritical carbon dioxide extraction machine for botanical extraction.
The methodology applied considers the total investment of the plant based on the purchase of the equipment that is necessary for operation. According to Peters and Timmerhaus [22], several variables such as the costs of raw materials, construction, labor payments, and facilities around the plant impact the economic performance of a project. Thus, it is essential to analyze parameters such as the present value, which represents the current value of future cash flows, the payback period, which represents the time in years that a project needs in order to recover all money invested, and finally the break-even point, which indicates the level of capacity of the plant at which the costs are lower than the annual profit.
A systematic computer program that evaluates economic parameters was developed by Santos et al. [23]. The Economical Analysis of Chemical Processes v.1 software (EACP) uses as inputs the cost of the equipment, OPEX value, minimum attractiveness rate, and lifetime of the plant. As a result, a variety of financial parameters that allow an understanding of the economic performance of a project are generated. With these values, a sensitive analysis of varying raw material costs was performed in this work, along with the CAPEX distribution, with the aim of analyzing the main impacts on the costs of the process.

3. Results

The technical viability of the SFE from the S. terebinthifolius extract will be discussed first based on the extraction yields obtained on a bench scale for the two different working temperatures. In addition, the composition and antioxidant potential of the obtained extracts were analyzed, considered key factors that encourage the idea of designing a commercially attractive product. From these results, the data were simulated to evaluate the scalability of the process and perform the economic viability analysis, discussed in the corresponding section.

3.1. S. terebinthifolius Extract from CO2 Supercritical Extraction

At an operating pressure of 90 bar, the extraction yield was 0.152% at 40 °C, while it increased to 0.999% at 60 °C. Although the increase in temperature leads to a reduction in the density of CO2, there is an increase in the vapor pressure of the solutes, which can lead to greater extraction. As can be seen in the work by authors such as Rosa et al. [24] and Pereira and Meireles [25], the effect of the temperature on the supercritical CO2 density is more complex; one can claim that under constant pressure, an increase in temperature leads to a decrease in supercritical solvent density. Changes in temperature, in addition to influencing the solvent density, also influence the vapor pressure and kinetic energy of solute molecules. At temperatures close to the critical point, the effect of a decrease in supercritical solvent density is more pronounced.
Table 3 shows the area% data for the main compounds identified in the extracts from fruits of S. terebinthifolius in different experimental conditions.
The chromatographic analysis of the examined extracts revealed that the application of a condition of 90 bar at 40 °C favors the extraction of monoterpenes (21.67%) and sesquiterpenes (58.39%). However, the utilization of 90 bar at 60 °C leads to a significant decrease in the extraction of monoterpenes (1.61%).
According to Murari et al. [26], the extraction of compounds at high temperatures can lead to the degradation of monoterpenes or induce a molecular rearrangement, originating other compounds of a sesquiterpenoid nature. Furthermore, it is known from the literature [27] that monoterpenes are more volatile than sesquiterpenes, which may have influenced the results obtained.
This outcome aligns with the findings previously elucidated by Piras et al. [28], whose studies reported that the fruit and leaf components of the S. terebinthifolius species from Brazil are notable for exhibiting substantial proportions of sesquiterpene and monoterpene hydrocarbons. The complexity of these phytochemical profiles is significantly influenced by geographic factors of origin, coupled with the harvesting seasonality, underlying growth conditions, and methodologies employed for compound extraction.
These natural components present in the S. terebinthifolius extract, with their antioxidant and antimicrobial properties, demonstrate significant potential for food preservation; thus, they have gained relevance in the field of food science [4]. This article aimed to determine the MIC values in μg.mL−1 of extracts obtained under different conditions from two strains, Staphylococcus aureus (ATCC 6338) and Escherichia coli (ATCC 8739), as shown in Table 4.
When interpreting the results provided, it is evident that the SFE conditions of 90 bar at 40 °C exhibited significant antimicrobial potential against both Staphylococcus aureus (ATCC 6338) and Escherichia coli (ATCC 8739), with inhibition values of 800 and 400, respectively. Additionally, the SFE conditions of 90 bar at 60 °C displayed even more potent antimicrobial effects against Staphylococcus aureus (ATCC 6338), with an inhibition value of 1600, while the impact on Escherichia coli (ATCC 8739) was lower, as evidenced by the inhibition value of 0.718. These findings underline the influence of the extraction conditions on the antimicrobial activity of the samples against the specific bacterial strains tested.
The essential oil derived from S. terebinthifolius has exhibited the capacity to hinder the in vitro proliferation of bacteria belonging to the L. monocytogenes and E. coli groups. Both groups hold significant importance due to their association with potential product contamination within the food industry [2]. This inhibitory effect was reinforced by the investigation conducted by Dannenberg et al. [29], wherein a marked decrease in the growth of S. aureus, L. monocytogenes, E. coli, and S. typhimurium was observed upon assessing the integration of S. terebinthifolius essential oil into active cellulose acetate films at concentrations of 2%, 4%, and 6% (v/v).
As elucidated by Dannenberg et al. [30], the essential oil extracted from S. terebinthifolius has demonstrated a remarkable capacity to completely impede the growth of microorganisms, particularly S. aureus and L. monocytogenes. This effect is evident when the oil is employed at a concentration of 2.72 mg.mL−1 across a range of culture mediums. Such findings underscore the substantial potential of S. terebinthifolius essential oil as a natural antimicrobial agent.
The studies by Gilbert and Favoreto [31] and El-Massry et al. [32], which meticulously evaluated the antimicrobial efficacy of both a S. terebinthifolius extract and essential oil against Gram-positive bacteria, consistently underscore the noteworthy effectiveness of these compounds against such bacterial strains. It is important to note that the minimum inhibitory concentration of these compounds was consistently observed to be below >1000 μg/mL.

3.2. SFE Process—Simulation

As previously stated, two simulations were executed using the Aspen Plus v.13 software. The first simulation was related to the supercritical extraction experiment conducted in the laboratory, while the second simulation was aimed at scaling up the process to an industrial level. Figure 3a,b illustrate the flow diagrams of the Aspen Plus simulations.
In the first simulation (Figure 3a), an adiabatic compressor with a power of 3.314 W (72% efficiency) was required to compress the CO2 feed stream (30 °C and 60 bar) and generate an output stream of CO2 at 90 bar and 65.2 °C. To lower the temperature of this stream. a shell-and-tube heat exchanger with a thermal exchange area of 10.7 cm2 was employed, which was fed with a cold utility flow (water at 25 °C) of 0.6 kg/h. Additionally, the outputs of the mathematical separator were based on the laboratory experiment, following the extraction efficiency of 0.152% (extract mass/biomass mass).
In the second simulation (Figure 3b), the plant processing capacity was scaled up to 15 kg/h of biomass, leading to a proportional increase in the CO2 feed rate. Consequently, the pressurization and cooling of a stream of approximately 3500 kg/h CO2 were required. As a result, the compressor power was estimated to be approximately 19.89 kW. Furthermore, instead of one heat exchanger, three were simulated, with a thermal exchange area of 2 m2 and a cold utility flow rate of 3600 kg/h, connected in series.
Table 5 provides a summary of the specifications for both flowsheets, which will be used in Section 3.3 for the economic evaluation of the simulated process.

3.3. Economic Evaluation Analysis

Considering a plant that handles 15 kg of S. terebinthifolius per batch and an operational time of 8000 h in one year, it was estimated that the total biomass required is 30 tons of biomass from S. terebinthifolius. Moreover, based on experimental data and simulation, the total equipment necessary is summarized in Table 6.
The operation costs are composed of the total costs of cooling water, the CO2 for the supercritical extractor, and the amount of biomass as the raw material for extraction (Table 7). The prices are referenced from supplier’s information and a market analysis. The energy required for compression was disregarded due the low cost participation rate in the cost evaluation, since the size of the equipment is small. For one year of operation, the following results were achieved.
Regarding the impacts of these two parameters (CAPEX and OPEX), Figure 4 illustrates the cost distribution of the equipment and utilities, where HE is the heat exchanger and the numbers 1, 2, and 3 are the tags for each equipment.
As can be observed, the supercritical separator and compressor account for 43% and 47%, respectively, in the CAPEX distribution of the total cost of the equipment, while the heat exchangers show a similar percentage. These results indicate that in order to reduce the cost of the process, the supercritical separator and compressor should be the focus, either during project development or supplier negotiation.
Utilities represent the main raw costs required for process operation; other costs such as employee payments are associated with the working capital using Peters and Timmerhaus’ methodology of economic evaluation. According to Figure 5, water cooling accounts for the main costs of the OPEX distribution. The potential for optimization comes from better water use in the process. For this, energy integration or the use of methodologies to reduce water consumption should have a significant impact on the process.
The results from the software for the EACP economic analysis are organized in Table 8 with the inputs and outputs. The data are based on the simulation and scale-up process for one year of operation.
From the analysis, it is possible to note the feasibility of the process. The NPV, which is positive within the lifetime of the plant, and the payback time of two years are great performance indicators for the process. Once the product of the plant has a high aggregate value, high economic revenue can be expected on a large scale. The break-even point represents the minimal production capacity of the plant that is necessary for the process to exceed its own cost of production. A value of less than 25% capacity was achieved in this work.
Other studies that also used the supercritical extraction technique and performed an economic evaluation such as those by Pereira et al. [33] and Sánchez et al. [34] have shown the feasibility of the supercritical-extractor-based processes. However, these characteristics are achieved when a high-value product is involved, once the operational costs represent a disadvantage of the process due to the utilities and raw materials required. Moreover, Sánchez et al. [34] also indicate the representative cost participation in the CAPEX distribution of the extractor, which suggests a focus point for the economic assessment and project development.

4. Conclusions

In conclusion, this study highlights the technical and economic potential of supercritical CO2 extraction for producing bioactive compounds from Schinus terebinthifolius. This method offers sustainability, quality preservation, and commercial viability, making it an attractive option for industrial-scale production. Addressing the operational costs is important, although the positive net present value (NPV) of $22,402,368.76 and quick two-year payback time confirm its economic feasibility. With a low break-even point and high product value, this approach aligns with previous studies on supercritical extraction techniques, emphasizing its practicality. While challenges such as the operational expenses exist, continued research and development can enhance the process efficiency and cost-effectiveness.

Author Contributions

Conceptualization and methodology. A.d.S., K.H. and G.S.; software. A.B.; validation. D.C., M.M. and B.M.; investigation. A.d.S.; writing—original draft preparation. A.d.S. and G.S.; writing—review and editing. A.d.S. and B.M; visualization. A.d.S., G.S., A.B., K.H., B.M., D.C., M.M. and F.P.; supervision. D.C., M.M. and F.P. All authors have read and agreed to the published version of the manuscript.

Funding

Financial support from National Council for Scientific and Technological Development (CNPq) and Foundation Carlos Chagas Filho Research Support of the State of Rio de Janeiro (FAPERJ) is also acknowledged and greatly appreciated.

Institutional Review Board Statement

Not applicable.

Informed Consent Statement

Not applicable.

Data Availability Statement

Not applicable.

Acknowledgments

The authors would like to acknowledge the support and contributions of the Federal University of Rio de Janeiro and the Federal Rural University of Rio de Janeiro in conducting this research. We are grateful for the infrastructure and technical assistance provided by the SENAI CIMATEC University Center.

Conflicts of Interest

The authors declare no conflict of interest.

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Figure 1. Diagram of the supercritical extraction unit of the Laboratory of Extraction and Purification of Natural Products: (A) CO2 cylinder; (B) check valve; (C) high-pressure pump (TELEDYNE ISCO); (D) extractor; (E) thermostatic bath; (F) micrometer valve; (G) extract collection bottle.
Figure 1. Diagram of the supercritical extraction unit of the Laboratory of Extraction and Purification of Natural Products: (A) CO2 cylinder; (B) check valve; (C) high-pressure pump (TELEDYNE ISCO); (D) extractor; (E) thermostatic bath; (F) micrometer valve; (G) extract collection bottle.
Applsci 13 11897 g001
Figure 2. Extraction process flowsheet.
Figure 2. Extraction process flowsheet.
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Figure 3. (a) Lab process flowsheet. (b) Industrial process flowsheet.
Figure 3. (a) Lab process flowsheet. (b) Industrial process flowsheet.
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Figure 4. CAPEX distribution.
Figure 4. CAPEX distribution.
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Figure 5. OPEX distribution.
Figure 5. OPEX distribution.
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Table 1. Operational conditions of temperature and pressure used in S. terebinthifolius fruit extraction using supercritical carbon dioxide.
Table 1. Operational conditions of temperature and pressure used in S. terebinthifolius fruit extraction using supercritical carbon dioxide.
RUNCoded LevelsReal Levels
Temperature (°C)Pressure (bar)Temperature (°C)Pressure (bar)
1−1−14090
21−16090
Table 2. Average chemical characterization of all varieties of biomass.
Table 2. Average chemical characterization of all varieties of biomass.
ParameterValue
C51.3wt% Dry Biomass
H6.3
N1.2
O41.0
S0.19
Ash6.0wt% As Measured
Volatile Matter64.3
Moisture14.4
Fixed Carbon15.3
Table 3. Chemical compositions of the extracts from fruits of S. terebinthifolius in different experimental conditions.
Table 3. Chemical compositions of the extracts from fruits of S. terebinthifolius in different experimental conditions.
CompoundPeak Area (%) a
90 bar—40 °C90 bar—60 °C
α-thujene0.700.36
Tricyclene5.290.55
α-pinene2.42-
Canfene0,35-
Sabinene11.65-
β-pinene1.260.70
Acetonyl acetone0.65-
Mircene0.43-
β-Phelandrene0.76-
α-terpinolene0.51-
Linalool0.99-
α-Fenchocamphorone0.12-
Camphenol1.14-
Menthyl Acetate0.69-
Bornyl acetate0.95-
Verbanol acetate0.39-
α-Funebrene-9.28
Citronellyl acetate0.281.29
α-Barbatene29.313.99
(E)-Caryophyllene0.880.79
α-Humulene0.390.40
γ-Patchoulene0.790.64
α-Chamigrene7.68-
Cuparene0.3627.5
α-Cuprenene2.040.68
α-Z-Bisabolene-4.61
Hexadecane-0.41
Germacrene D0.841.06
Ledol1.284.08
Khusimone15.30.49
Octadecane-0.97
epi-α-Bisabolol0.450.71
Laurenene1.69-
Evodione0.36-
α-Santonine0.432.5
Tetracosane0.48-
Abietol1.792.61
Heptacosane-9.90
Hydrocarbon Monoterpenes21.671.61
Hydrocarbon Sesquiterpenes58.3958.65
Oxygenated Monoterpenes3.312.00
Oxygenated Sesquiterpenes1.62-
Total Identified84.9962.26
a Relative percentage obtained from the peak area of chromatograms from the gas chromatography–mass spectrometry analysis.
Table 4. Determination of MIC values in μg.mL−1 for extracts obtained under different conditions.
Table 4. Determination of MIC values in μg.mL−1 for extracts obtained under different conditions.
SamplesStrains
Staphylococcus aureus
(ATCC 6338)
Escherichia coli
(ATCC 8739)
SFE—90 bar/40 °C800400
SFE—90 bar/60 °C16000.718
Table 5. Simulation specification summary.
Table 5. Simulation specification summary.
Scale
SpecsLabIndustrial
Processing Capacity10 g15 kg/h
Production Capacity0.0157 g0.023 kg/h
CO2—inlet 3489.54 kg/h
Compressors1 un.1 un.
Compressor Power3.314 W20 kW
Heat Exchangers1 un.3 un.
Heat Exchange Area10.7 cm22 m2/un.
Water duty0.6 kg/h10,800 kg/h
Table 6. List of equipment.
Table 6. List of equipment.
EquipmentSizeCost ($)
Supercritical Extractor0.5 L23,053.13
Heat Exchanger 12 m21846.93
Heat Exchanger 22 m21846.93
Heat Exchanger 32 m21846.93
Compressor20 kW25,053.13
Table 7. Raw material costs.
Table 7. Raw material costs.
Raw MaterialUnit CostTotal
S. terebinthifolius biomass16.67 US$/kg *$ 508,064.52
Cooling Water0.05 €/m3$ 4,762,238.40
Carbon Dioxide50 €/t$ 1,533,863.74
* Cost of S. terebinthifolius (Internet). Available from: http://atacadodireto.com.br/p−8360434-PIMENTA-ROSA-KG, accessed on 25 April 2023).
Table 8. Economic analysis results.
Table 8. Economic analysis results.
EACP Inputs
Total equipment cost ($)$ 53,646.97
OPEX ($/YEAR)$ 6,789,181.00
Revenue ($/YEAR)$ 11,395,161.29
Lifetime of plant (years)15
MARR (%)6%
EACP Results
NPV$ 22,402,368.76
Break-even point<25%
Payback time (years)2
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de Souza, A.; Santos, G.; Bispo, A.; Hodel, K.; Machado, B.; Chaves, D.; Mendes, M.; Pessoa, F. Technical and Economic Evaluation of Bioactive Compounds from Schinus terebinthifolius Using Supercritical Carbon Dioxide. Appl. Sci. 2023, 13, 11897. https://doi.org/10.3390/app132111897

AMA Style

de Souza A, Santos G, Bispo A, Hodel K, Machado B, Chaves D, Mendes M, Pessoa F. Technical and Economic Evaluation of Bioactive Compounds from Schinus terebinthifolius Using Supercritical Carbon Dioxide. Applied Sciences. 2023; 13(21):11897. https://doi.org/10.3390/app132111897

Chicago/Turabian Style

de Souza, Ana, Gustavo Santos, Artur Bispo, Katharine Hodel, Bruna Machado, Douglas Chaves, Marisa Mendes, and Fernando Pessoa. 2023. "Technical and Economic Evaluation of Bioactive Compounds from Schinus terebinthifolius Using Supercritical Carbon Dioxide" Applied Sciences 13, no. 21: 11897. https://doi.org/10.3390/app132111897

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