Conceptual Design Process Research Articles

Unleashing the potential of castor oil as extraction solvent of carotenoids from tomatoes

Adding carotenoids to cosmetic formulations aligns with the industry’s growing ethos of producing safer, more sustainable, and nature-inspired products. While synthetic compounds still have their place in cosmetics, the shift towards natural ingredients such as carotenoids reflects a more significant commitment across the industry to satisfy consumer preferences and contribute to a greener future. Castor oil is a well-known natural oil used in several cosmetic formulations because it reduces moisture loss and enhances skin hydration. However, it’s only added to cosmetics simultaneously with all the other components, including natural extracts. Thus, this work goes behind literature and classic downstream approaches. A simplification of cosmetics formulations is intended by using castor oil directly as the extraction solvent of natural bioactive compounds, such as carotenoids from tomatoes. A comparison of its extraction performance with conventional extraction solvents was made, and all the process operating conditions were optimized (SLR = 0.06 gbiomass.mLsolvent-1, percentage of castor oil = 50 % (v/v), and time of extraction = 90 min) to achieve a maximum recovery of 3.2 ± 0.2 mgCar.gbiomass-1. Additionally, its capacity as a preservative of carotenoids degradation was also tested against a conventional solvent to enhance natural pigments’ shelf life showcasing increased stability (especially at 75 °C), a current problem of their application in industry. The environmental performance of the process proposed was analyzed based on the carbon footprint, with electricity consumption identified as the most significant contributor. This impact could be greatly reduced by utilizing photovoltaic energy. Lastly, a conceptual process design has been proposed to envision its practical application in an industrial setting.

Extractive distillation using salt-based deep eutectic solvent as entrainer for separating acetonitrile-water mixture

Salt-based deep eutectic solvents (DESs) have been proposed in this work for the separation of the azeotrope of acetonitrile and water (H2O). The vapor–liquid equilibrium experiments indicated that (ChCl:U:CaCl2)1:2:0.36 exhibits an higher selectivity among all of the entrainers investigated and eliminates the azeotropic point of acetonitrile and water mixture. Moreover, the calculated values by NRTL model coincide well with the experimental data for the systems (acetonitrile + H2O + (ChCl:U:CaCl2)1:2:0.36). Based on the thermodynamic study, the conceptual process design was established to evaluate the competitiveness of the suggested entrainers for the separation of acetonitrile and water. It was determined that the thermodynamic efficiency (η) in the extractive distillation (ED) process utilizing the new salt-based DESs entrainers increases 60.31 % compared with the benchmark entrainer ethylene glycol (EG). Conversely, the ED process using (ChCl:U:CaCl2)1:2:0.36) entrainer can reduce the total annual cost (TAC) by about 7.81 % and the CO2 emissions (ECO2) by 14.74 %. The ED process using (ChCl:U:CaCl2)1:2:0.36) as entrainer shows the high energy efficiency, low economy cost and low CO2 emissions with a great industrial application prospect when compared to the bench marked process.

Structural models of the keratin derivatives. An approach to its solubility and processability

Small-size models of keratin constituent units and products of its decomposition are proposed and computed to i) reproduce the interaction patterns that hold the macromolecule structure and its behavior under different reaction media and physico-chemical conditions; ii) estimate the energy of interactions that support the tridimensional structure of the protein, and consequently, the energy requirements to break it. To create these models and evaluate their performance, quantum-chemical, COSMO, and COSMO-RS calculations were performed. They seem to be capable to support process simulations during the conceptual design and optimization of operations and processes to transform the raw keratin into products of higher added value. Besides, proper analyses using these models demonstrated that the cleavage of the disulfide bonds is the primary condition to break the macromolecule but additionally, the intramolecular H-bond network should be dissociated enabling the intramolecular interaction with the chemicals used to dissolve and regenerate the keratin.

Remediation of plastic waste generated during the COVID-19 pandemic: A conceptual process design of pyrolysis using polyethylene, polypropylene, polystyrene based polymers

During the COVID-19 pandemic, the increase in plastic-based personal protective equipment has raised concerns about managing medical waste and protecting the environment. This study highlights the need for effective waste management strategies by creating a conceptual process flow diagram and investigating thermal treatment methods like pyrolysis as potential solutions. Using computational modeling and process optimization, the study examines different polymer blends, including High-Density Polyethylene (HDPE), Polystyrene (PS), and Polypropylene (PP), to understand how they behave during pyrolysis and the yields they produce. Two pyrolysis schemes have been developed to handle various polymer blends. In Scheme 1, the liquefied polymer is preheated and then pyrolyzed in a reactor, producing a vapor stream and a residue stream (carbon). The vapor stream is cooled to enhance liquid oil production and then is separated in a distillation column to isolate liquid oil from pyrogas. Scheme 2 follows a similar process but converts a significant portion of liquid hydrocarbons to gas in the distillation column, requiring further gas processing in a one-stage separator column. The results show that temperature significantly impacts liquid yield, with specific temperature ranges leading to increased yield. Additionally, the composition of the polymers and the rate at which the material is fed into the process affect the yields, with specific blends showing promise for higher liquid yield. This study emphasizes the importance of accurate process modeling to optimize the operational parameters and improve the economic viability of plastic pyrolysis technology presenting a promising opportunity to convert plastic waste into valuable resources.

Conceptual Design Process of a Missile Model and Production Using Additive Manufacturing Method

This study focuses on air-to-ground missile systems, which are widely used in Turkey and around the world and are becoming increasingly important. The development of missile systems takes into account various requirements defined by the end user. It is important to identify a system and its subcomponents that fully meet the requirements. This study analyzes an air-to-ground missile system and its main subcomponents identified through the conceptual design method based on the systematic design approach proposed by Pahl and Beitz. The aim is to determine the feasibility of obtaining an optimal solution that meets the requirements set by the conceptual design method. The missile design’s optimal solution was modeled using SolidWorks software. A three-dimensional (3D) printer with FDM production technology was used to produce a prototype of the computer-modeled design. ABS and ABS-plastic blend filaments were preferred due to their material properties in the FDM production process. During the printing stage, the filament and output settings of the model were determined using the 3D printer’s interface program. The filaments were then extruded through a nozzle, following the cross-sectional geometry of the part. The resulting model was printed in pieces and assembled with a tolerance of 0.1mm. This process resulted in a 3D model of the missile, which was created to represent the system structure in different colours. The study demonstrates that the conceptual design method can be used to develop innovative and meaningful missile models.

Conceptual design of furfural extraction, oxidative upgrading and product recovery: COSMO-RS-based process-level solvent screening

Liquid phase oxidation of furfural using hydrogen peroxide offers a promising route for bio-based C4 furanones and diacids; however, only dilute water-based process designs have been previously suggested that have limited techno-economic potential. In this study, a conceptual process design is presented, where aqueous furfural is extracted using an organic solvent, coupled with peroxide oxidation and product recovery in the presence of the solvent. To address the problem of solvent selection, the COSMO-RS-based solvent screening framework is applied, where quantum mechanics-based thermodynamics are utilized in pinch-based process models. About 2500 solvent candidates were identified as feasible. Focusing on a set of 400 solvent candidates revealed energy consumption values (Qreb,tot/ṁprod recov) between approximately 2 MWh/tonne and 33 MWh/tonne, signifying the potential of the solvent-based process in outperforming the reference aqueous process (49.4 MWh/tonne). The study provides potential solvent candidates and future directions to consider in more costly computational and experimental efforts.

Decaffeination of yerba mate (Ilex paraguariensis) by pressurized liquid CO2 extraction: A feasible process?

This work introduces a pumpless high-pressure Soxhlet cross-current solid-liquid extraction method using liquid CO2 and hydrated ethanol for studying the decaffeination of yerba mate. By combining experimental results with thermodynamic modelling, a comprehensive evaluation of the impact of the co-solvent composition is achieved. It is observed that an ethanol/water mixture with a specific composition of 85 wt% is optimal under mild operating conditions (283 K and 4.5 MPa) for extracting caffeine from chopped yerba mate leaves with a negligible co-extraction of caffeoyl derivative antioxidants. The obtained selectivity, together with the phase equilibrium simulation, provide evidence of the significant potential of liquid CO2 extraction as a decaffeination alternative for yerba mate. Thus, high-pressure Soxhlet extraction serves as simple technique to access valuable experimental information with potential for the conceptual design of further scalable semi-continuous processes.

Conceptual Process Design and Techno-Economic Analysis of Biocatalytic Furfural Hydrogenation Using Ethanol as the Terminal Reductant

Conceptual Process Design and Techno-Economic Analysis of Biocatalytic Furfural Hydrogenation Using Ethanol as the Terminal Reductant

Examining How the Large Language Models Impact the Conceptual Design with Human Designers: A Comparative Case Study

Advances in artificial intelligence have led to breakthroughs in large language models (LLMs), like ChatGPT, opening up exciting possibilities for conceptual design. However, it’s essential to gain an in-depth understanding of how LLMs impact conceptual design output, process, and human designers’ perception. To this end, we chose ChatGPT as an example and conducted the investigation with 30 participants divided into Human-LLMs groups and human-human groups. The results indicated that there was no significant difference between their outputs, but the incorporation of LLMs shortened the completion time with fewer design steps and less time allocated to the late stages of design. Despite being perceived as less efficient and trusted, LLMs can still be viewed as potential collaborators, with humans holding the leadership. These findings offer the HCI community a thorough comprehension of how LLMs influence creativity-related practices, providing valuable insights for designing future interactions with LLMs.

Conceptual Process Design, Techno-Economics, and Greenhouse Gas Analysis of Furfuryl Alcohol Production via Transfer Hydrogenation

Conceptual Process Design, Techno-Economics, and Greenhouse Gas Analysis of Furfuryl Alcohol Production via Transfer Hydrogenation

Integrated CO2 Capture and Utilization by Combining Calcium Looping with CH4 Reforming Processes: A Thermodynamic and Exergetic Approach.

This study investigates a novel concept to coproduce high-purity H2 and syngas, which couples steam methane reforming with CaO carbonation to capture the generated CO2 and dry reforming of methane with CaCO3 calcination to directly utilize the captured CO2. The thermodynamic equilibrium of the reactive calcination stage was evaluated using Aspen Plus via a parametric analysis of various operating conditions, including the temperature, pressure, and CH4/CaCO3 molar ratio. Introducing a CH4 feed in the calcination stage promoted the driving force and completion of CaCO3 decomposition at lower temperatures (∼700 °C) compared to applying an inert flow, as a result of in situ CO2 conversion. A conceptual process design was investigated that employs a system of two moving bed reactors to produce nearly equivalent volumetric flows of pure H2 and a syngas stream with a H2/CO molar ratio close to 1. A solar reactor was examined for the reactive calcination step to cover the energy requirements of endothermic CaCO3 decomposition and dry reforming. The overall exergy efficiency of the process was found equal to ∼75.9%, a value ∼4.0 and ∼8.0% higher compared to sorption-enhanced reforming with oxy-fuel and solar calciner, respectively, without direct utilization of the captured CO2.

Process development studies on the recovery of caesium specific calix-crown-6 extractant from actual spent calix solution for efficient spent solvent management

Abstract This paper reports the studies carried out on the development of a process for the recovery of 1,3-dioctyloxycalix[4]arene-18-crown-6 (CC-6) from the spent solvent generated during industrial scale separation of 137Cs from High Level Liquid Waste (HLLW). Initial works involved the validation of a conceptual process design and optimization of the process parameters with a simulated solvent. The optimized process was then tested with actual spent solvent to recover calix-crown-6. Such a process to recover undegraded and potentially re-usable calix-crown-6 from the spent solvent has been attempted for the first time with the aim of value recovery and reduced spent solvent management burden.

Interval-valued spherical fuzzy quality function deployment methodology: Metaverse collaborative system design application

The metaverse collaborative system (MCS) aims to assist users in working together, sharing resources, and participating in joint activities in the metaverse environment. As an interactive system, identifying essential design requirements (DRs) based on user requirements (URs) during the conceptual design phase of MCS is challenging as it directly affects the cost of subsequent optimization design and user experimentation, as well as user experience. Therefore, we propose a quality function deployment (QFD) method based on multi-criteria decision-making (MCDM) in an interval-valued spherical fuzzy (IVSF) environment to establish a mapping relationship between URs and DRs and identify human-centered DRs to guide the conceptual design process of MCS. Firstly, we summarized the URs for MCS design and calculated their weights using IVSF based analytical hierarchy process (IVSF-AHP). Afterward, we determined DRs based on URs and established the UR-DR relationship in the house of quality of QFD. Next, we integrate the VlseKriterijuska Optimizacija I Komoromisno Resenje (VIKOR) method in the IVSF environment into QFD to determine the priority of DRs. The results indicate that system functional design, scene layout design, compatibility design, and multi-user collaborative optimization design are important DRs for designing MCS and should be carefully considered. We validated the applicability of this method through an urban planning MCS design example and provided a conceptual design case including functional blueprints. Sensitivity analysis and comparative analysis demonstrate the flexibility and reliability of the proposed method.

From biomass-derived fructose to γ-valerolactone: Process design and techno-economic assessment

This work proposes a process design and techno-economic assessment for the production of γ-valerolactone from lignocellulosic derived fructose at industrial scale, with the aim of exploring its feasibility, identifying potential obstacles, and suggesting improvements in the context of France.First, the conceptual process design is developed, the process modelled and optimized. Second, different potential scenarios for the energy supply to the process are analyzed by means of a set of economic key performance indicators, aimed at highlighting the best potential profitability scenario for the sustainable exploitation of waste biomass in the context analyzed. The lowest Minimum Selling Price for GVL is obtained at 10 kt/y plant fueled by biomass, i.e. 1.89 €/kg, along with the highest end-of-live revenue, i.e. 113 M€. Finally, a sensitivity and uncertainties analysis, based on Monte Carlo simulations, are carried out on the results in order to test their robustness with respect to key input parameters.

Impact of intermittent electricity supply on a conceptual process design for microbial conversion of CO2 into hexanoic acid

Combining intermittent renewable electricity (IRE) with carbon capture and utilisation is urgently needed in the chemical sector. In this context, microbial electrosynthesis (MES) has gained attention. It can electrochemically produce hexanoic acid, a value-added chemical, from CO2. However, there is a lack of understanding regarding how the intermittency of renewable electricity could impact the design of a MES plant. We studied this using Aspen Plus models.A MES plant that was powered by constant grid electricity could operate from 100% down to 70% of its nominal capacity, at which point the heat exchangers and the internal geometrical design of the distillation towers became bottlenecks. The levelised production cost of hexanoic acid (LPCC6A) was estimated at 4.0 €/kg. Switching to IRE supply increased LPCC6A to 5.3 €/kg (for wind electricity) and 4.7 €/kg (for hybrid renewable electricity).A battery energy storage system (BESS) was deployed. The lowest LPCC6A was found at a BESS installation of 29 GJ/h for wind electricity (5.1 €/kg) and at 12 GJ/h for hybrid renewable electricity (4.7 €/kg). In both situations, the volume flexibility of the MES plant was not improved. At the investigated market and operating conditions, coupling IRE to the MES plant was economically infeasible.

Aerodynamic/control integrated optimization method for unpowered high-speed vehicle configuration design

The unpowered high-speed vehicle experiences a significant coupling between the disciplines of aerodynamics and control due to its characteristics of high flight speed and extensive maneuverability within large airspace. The conventional aircraft conceptual design process follows a sequential design approach, and there is an artificial separation between the disciplines of aerodynamics and control, neglecting the coupling effects arising from their interaction. As a result, this design process often requires extensive iterations over long periods when applied to high-speed vehicles, and may not be able to effectively achieve the desired design objectives. To enhance the overall performance and design efficiency of high-speed vehicles, this study integrates the concept of Active Control Technology (ACT) from modern aircraft into the philosophy of aerodynamic/control integrated optimization. Two integrated optimization strategies, with differences in coupling granularity, have been developed. Subsequently, these strategies are put into action on a biconical vehicle that operates at Mach 5. The results reveal that the comprehensive performance of the synthesis optimal model derived from the aerodynamic/control integrated optimization strategy is improved by 31.76% and 28.29% respectively compared to the base model under high-speed conditions, demonstrating the feasibility and effectiveness of the method and optimization strategies employed. Moreover, in comparison to the single-stage strategy, the multi-stage strategy takes into deeper consideration the impact of control capacity. As a result, the control performance of the synthesis optimal model derived from the multi-stage strategy improves by 13.99%, whereas the single-stage strategy only achieves a 5.79% improvement. This method enables a fruitful interaction between aerodynamic configuration design and control system design, leading to enhanced overall performance and design efficiency. Furthermore, it improves the controllability of high-speed vehicles, mitigating the risk of mission failure resulting from an ineffective control system.

Feasibility study of using digital twins for conceptual design of air-quenching processes

Feasibility study of using digital twins for conceptual design of air-quenching processes

Zeolite-Y-catalyst production from locally sourced Meta-kaolin: Computer-Aided scale-up process design and economic analysis with Monte-Carlo-Simulation

Production of zeolite-Y catalyst from natural substrate has been a research trend in the scientific community. Published articles revealed that zeolite-Y recovery from locally sourced metakaolin is confined to laboratory practice. Scale-up process design and its economic feasibility for zeolite-Y catalyst recovery are rarely found in the scientific bibliography. Therefore, this study presented conceptual scale-up process design, base-case techno-economics and Monte-Carlo simulation of zeolite Y recovery from Nigerian metakaoline. ASPEN Base Case Simulation (ABCS), scale-up design and economics were accomplished using inherent design and costing algorithms in ASPEN Batch Process Developer (ABPD) V10. Process economic parameters: Net Present Value (NPV), Internal Rate of Return (IRR), Return on Investment (ROI) and Payback Time (PBT), were modelled and optimized using Design Expert V13 software; while zeolite Unit Production Cost (UPC), Annual Production Cost (APC), Total Capital Investment (TCI) and interest/discount rate were considered as model inputs. Monte-Carlo Simulation (MCS) in Crystal Ball Oracle software was used to perform the sensitivity and uncertainty analyses. The base-case techno-economic results of process design of 600,000 kg/year zeolite production gave batch size 5000 kg/batch with 104 batches/year, batch time (4149 min), TCI ($15,930,306), APC ($147,145), NPV ($41,983,375), ROI (38.13 %) and PBT (2.14 years). The coefficient of determination (R2) of the economic models were 0.9978, 0.9989 and 0.9986 for NPV, ROI and IRR respectively. The optimum economic variables that maximized synthesis of 5000 kg/batch zeolite Y are UPC ($11.68), APC ($100,033) and TPC ($15,930,200). MCS uncertainty for NPV, IRR and ROI are negligible. Therefore, this study demonstrated that scale-up zeolite-Y production from the local substrate is economically feasible.

Conceptual Process Design and Technoeconomic Analysis of an e-Methanol Plant with Direct Air-Captured CO2 and Electrolytic H2

Conceptual Process Design and Technoeconomic Analysis of an e-Methanol Plant with Direct Air-Captured CO₂ and Electrolytic H₂

Solvent selection based on a conceptual process design by combining cost evaluation and life cycle assessments for developing new reaction pathways

Solvent selection combined with conceptual process design is the key to developing sustainable chemical production.