The fine chemical and pharmaceutical sectors are starting to advocate for the use of flow chemistry due to reasons such as the environment, health and safety, efficiency, cost saving, and regulatory compliance. The use of a trickle bed or fixed bed system could replace a batch autoclave typically used for hydrogenation reactions. However, there are few studies that detail the process from laboratory proof of concept through design to commercial realization. This study, using the production of 1,3-cyclohexanedione from the catalytic hydrogenation of resorcinol as a case study, demonstrates how the laboratory-scale recycle trickle bed can be used for catalyst screening and selection. Further, design data are generated by operation over a range of design superficial velocities and operating pressures that are used to derive a design correlation that is then used to specify a single stream plant at a level of definition consistent with a Preliminary Design for capital cost estimation. Fina... [more]

Hydrogen-based fluidized bed direct reduction (H-FBDR) is an important and promising route for fossil-free ironmaking. In this study, to achieve the optimal operation state of energy use and exergy efficiency, the influences of the metallization process and the ratios of H2 injected on the energy and exergy flows in the H-FBDR process are studied. The results show that the thermodynamically designed two-stage reduction process (first: Fe2O3→FeO; second: FeO→Fe) requires a smaller H2 quantity than other metallization processes. According to the mass, energy, and exergy balance analyses, variations in the H2 consumption, exergy destruction, and energy/exergy losses of the overall system, iron ore preheater (F1), fluidized bed reactor system (R), heat exchanger (E), and gas preheater (F2) with different ratios of H2 injected (η) are derived. The total H2 consumption, total exergy destruction, and energy/exergy losses rise with increasing η, and sharp increases are observed from η = 1.3 to... [more]

The process design of hot air reflow soldering is one of the key factors affecting the quality of PCBA (Printed Circuit Board Assembly) component products. In order to improve the product quality during the design process, this paper proposes a robust optimization-based finite element simulation analysis method including significant influencing factor screening, robustness evaluation, robust optimization, and reliability verification for the reflow soldering process. The simulation model of the reflow soldering process temperature field based on experiments is constructed and validated. Sensitivity analysis is used to select important influencing factors, such as the last five set temperature zones (T5 to T9) in the reflow oven and the thermal properties of materials such as PCBs (printed circuit boards), BGAs (ball grid arrays), and solder paste, as well as noise factors like the heating environment during the soldering process. Several surrogate models are used to construct the respo... [more]

Nanofiltration is well suited to separate monovalent ions from multivalent ions, such as the separation of Li+ and Mg2+ from seawater, a potential lithium source for the production of lithium-ion batteries. To the best of our knowledge, there is no existing work on the optimization of a multi-stage membrane plant that differentiates between different ions and that is based on a validated transport model. This study presents a method for modeling predefined membrane interconnections using discretization along the membrane length and across the membrane thickness. The solution-diffusion−electromigration model was used as the transport model in a fundamental membrane flowsheet, and the model was employed to optimize a given flowsheet with a flexible objective function. The methodology was evaluated for three distinct separation tasks, and optimized operating points were found. These show that permeances and feed concentrations might cause negative rejections and positive rejections (espec... [more]

Solar cells, liquid crystal displays (LCDs) and light-emitting diodes (LEDs) have become more and more important in recent decades. Crucial components of such electronic devices include rare metals (e.g., indium and gallium), which are only available in limited quantities. In order to meet their rising demand in the coming years, recycling processes, especially those that enable selective recovery of the individual components, are steadily gaining in importance. One conceivable method is particle-loaded solvent extraction followed by mechanical processing. Therefore, we first investigated the possibility of recovering individual particle fractions from a multicomponent mixture on the basis of the surface properties. Both UV−Vis spectroscopy and small-angle X-ray scattering (WAXS) were used for evaluation. The conducted experiments showed, among other things, that the indium oxide content increased from 50% to 99% in a binary system and from 33% to 94% in a ternary compound. In addition... [more]

This article considers the design and control of the 2-butene metathesis process. The process transforms a low-value feedstock derived from a fluid catalytic cracking unit into more valuable products. The economical optimization is applied to the preheat−reaction and separation sections, with the objective of minimizing the total annual cost. The dynamic response and control of the plant are evaluated for feed flow perturbations. Although the process control system acts as a first line of defense against potential hazards, other independent safety layers are discussed with safety limits specific to the critical equipment of the 2-butene metathesis unit. The results prove that the metathesis reaction of 2-butene over a mesoporous tungsten catalyst is economically attractive. For a 5.7 t/h feed rate consisting of 2-butene (70% molar) and n-butane (30% molar), a reaction−separation plant (without recycle) requires 6570 × 103 $ investment and has a profitability of 2300 × 103 $/year.

Biorefineries have been defined as complex systems where biomass is integrally processed to obtain value-added products and energy vectors, involving recent research advances, technological trends, and sustainable practices. These facilities are evolving since new pathways and challenges for biomass upgrading appear constantly aimed at increasing process sustainability. Nevertheless, few literature papers summarize how these new trends can improve biorefinery sustainability and boost the transition to renewable resources. This paper reviews several challenges and future perspectives before biorefinery implementation at the industrial level. Challenges related to waste stream valorization, multifeedstock use, biorefinery energy matrix diversification, and new products based on new biomass conversion pathways are reviewed. Thus, this paper provides an overview of the most recent trends and perspectives for improving biorefinery sustainability based on waste stream minimization, integral... [more]

Methanol production via carbon dioxide (CO2) hydrogenation is a green chemical process, which can reduce CO2 emission. The operating conditions for minimum methanol production cost of three configurations were investigated in this work. An artificial neural network with Latin hypercube sampling technique was applied to construct model-represented methanol production. Price sensitivity was performed to study the impacts of the raw materials price on methanol production cost. Price sensitivity results showed that the hydrogen price has a large impact on the methanol production cost. In mathematical modeling using feedforward artificial neural networks, four different numbers of nodes were used to train artificial neural networks. The artificial neural network with eight numbers of nodes showed the most suitable configuration, which yielded the lowest percent error between the actual and predicted methanol production cost. The optimization results showed that the recommended process desig... [more]

The influence of process water recycling during the Supercritical Water Gasification (SCWG) of dry biomasses was investigated. Dry biomass has to be diluted with water to a dry matter content of approximately 10 wt.% to gasify it in the process of supercritical water gasification. The treatment of wastewater in the SCWG process is cost intensive due to organic contaminants; therefore, the recycling of the process effluent is attractive. Salt separation is needed to avoid accumulation of salts in the effluents, since salts enhance corrosion rates and might cause blocking of the flow when the effluent is recycled. The grass Reed Canary Grass and grapevines were gasified. The recycling of the process effluent did not influence the composition of the product gas. In both cases the carbon efficiency decreased by 4% when wastewater was used to dilute the biomass. An increase in organic carbon and potassium in the reactor effluent was observed after gasification of the biomass with recycled p... [more]

This paper describes the state of the art and future opportunities for process design and sustainable development. In the Introduction, the main global megatrends and the European Union’s response to two of them, the European Green Deal, are presented. The organization of professionals in the field, their conferences, and their publications support the two topics. A brief analysis of the published documents in the two most popular databases shows that the environmental dimension predominates, followed by the economic one, while the social pillar of sustainable development is undervalued. The main design tools for sustainability are described. As an important practical case, the European chemical and process industries are analyzed, and their achievements in sustainable development are highlighted; in particular, their strategies are presented in more detail. The conclusions cover the most urgent future development areas of (i) process industries and carbon capture with utilization or s... [more]

Gasification of organic matter under the conditions of supercritical water (T > 374 °C, p > 221 bar) is an allothermal, continuous flow process suitable to convert materials with high moisture content (<20 wt.% dry matter) into a combustible gas. The gasification of organic matter with water as a solvent offers several benefits, particularly the omission of an energy-intensive drying process. The reactions are fast, and mean residence times inside the reactor are consequently low (less than 5 min). However, there are still various challenges to be met. The combination of high temperature and pressure and the low concentration of organic matter require a robust process design. Additionally, the low value of the feed and the product predestinate the process for decentralized applications, which is a challenge for the economics of an application. The present contribution summarizes the experience gained during more than 10 years of operation of the first dedicated pilot plant for super... [more]

Polyoxymethylene dimethyl ethers (OMEn) are frequently discussed as alternative diesel fuels, with various synthesis routes considered. OME3−5 syntheses demand significant amounts of thermal energy due to the complex separation processes that they entail. Therefore, innovative process designs are needed. An important tool for the development of new processes is process simulation software. To ensure sound process simulations, reliable physico-chemical models and component property data are necessary. Herein we present the implementation of a state-of-the-art thermodynamic model to describe the component systems of formaldehyde-water and formaldehyde-methanol using Microsoft® Excel (2010, Microsoft Corp, Redmond, WA, USA) and Aspen Plus®, (V8.8, Aspen Tech, Bedford, MA, USA) determine the deviation between the calculated results and experimental literature data, and minimize the deviation by means of parameter fitting. To improve the accuracy of the estimation of the missing property da... [more]

In this review, we focus on the literature that described the various unit operations in a process design flowsheet of biorefineries. We begin by establishing the accepted definitions of a biorefinery, go on to describe how to categorize biorefineries, and finally review the literature on biorefinery process designs by listing the unit operation in each process design. Distinguishing biorefineries based on feedstock, the types of processing units, and the products emanating from the biorefinery are discussed.

The removal of acidic gases and impurities from gas mixtures is a critical operation in the oil and gas industry. Several separation techniques, e.g., cryogenic fractionation, polymeric membranes, zeolites, and metal−organic frameworks, are employed to treat gas mixtures depending upon the nature of separation and contaminants present in the gas mixtures. However, removing N2, H2, H2S, and CO2 contents from industrial gas mixtures is a challenging step due to economic factors, high energy consumption, and effective separation. Hydrate-based separation for selective gas removal is a promising and efficient separation technique over a range of temperatures, pressures, and acidic gas contents. The enclathration of CO2, H2, N2, H2S, and other natural gas constituents effectively removes acidic gases and other contaminants from process gas streams. This work presents a novel process design to remove acidic gases and other contaminants from industrial waste gases and natural gas mixtures to... [more]

This work discusses the conceptual process design for the integrated production of bio-based acrylic acid from carob pod aqueous extracts. CHEMCAD was used for the process simulation and cost estimation of the relevant equipment. The process was designed for a capacity of 68 kt of carob pod per year, operating 8000 h annually, and involving extraction, fermentation, catalytic dehydration, and distillation to achieve 99.98%w/w acrylic acid as the main product. The economic assessment for the base case suggests a fixed capital investment of EUR 62.7 MM with an internal rate of return of 15.8%. The results obtained show that carob pod is a promising biomass source for the production of bio-acrylic acid.

This work discusses what should be the desirable path and correct tools for the optimal re-design and operation of processes in the Industry 4.0 framework, as illustrated in a challenging case study corresponding to a complex network of evaporation plants in a viscose-fiber factory. The goal is to integrate optimal design, to improve the existing cooling systems, together with the optimal operation of the whole network, balancing the initial investment with the potentially achievable savings. A rigorous mathematical model for such optimization purpose has been built. The model explicitly considers different structural alternatives as a superstructure for the incorporation of new equipment into the network. The uncertainty associated to future operating conditions is also considered by using a two-stage stochastic formulation. Furthermore, the model is also the base from which a deterministic real-time optimization (RTO) builds upon to support the daily management of the future network... [more]

In order to not only produce an open-die forged part with the desired final geometry but to also maintain economic production, precise process planning is necessary. However, due to the incremental forming of the billet, often with several hundred strokes, the process design is arbitrarily complicated and, even today, often only based on experience or simple mathematical models describing the geometry development. Hence, in this paper, fast process models were merged with a double deep Q-learning algorithm to enable a pass schedule design including multi-objective optimization. The presented implementation of a double deep Q-learning algorithm was successfully trained on an industrial-scale forging process and converged stably against high reward values. The generated pass schedules reliably produced the desired final ingot geometry, utilized the available press force well without exceeding plant limits, and, at the same time, minimized the number of passes. Finally, a forging experime... [more]

This paper proposes a concept of a process design for the separation and recovery of n-butanol from a five-component mixture, consisting of n-butanol, isobutanol, formaldehyde, water and methanol. The mixture is a common waste stream in the production of butylated amino resins; therefore, recovery of n-butanol is crucial to the efficiency of the process. The results show that up to 94% of the n-butanol present in the waste stream can be recovered. Under the studied conditions, 99.76% pure n-butanol can be obtained, while formaldehyde, water and methanol are present only in traces. The energy intensity of the process is estimated at 2.42 MJ/kg of purified n-butanol. The economic analysis of the process shows that the process is economically viable over a wide range of production capacities, as evidenced by high net present values and high return on investment values.

Petrochemical tail gases have various components and many separation methods, thus there are many possible design schemes, making it difficult to determine the optimal scheme. In this work, a graphic synthesis method was used to design a hybrid multi-input refinery gas separation process consisting of membranes, pressure swing adsorption (PSA), shallow condensation (SC), and distillation units for the production of valuable products which include H2, C2, LPG, and C5+. Ten refinery gases with different compositions were visualized and represented with vector couples in a triangular coordinate system. Firstly, according to the characteristics of the refinery gases, the feeds located in the same region of the triangular coordinate system were merged to simplify the number of input streams, then ten original input streams were combined into two mixed streams. Secondly, the optimal separation sequence was determined by using the unit selection rules of a graphic synthesis method. Thirdly, t... [more]

Distillation-based separation processes, such as extractive or heteroazeotropic distillation, present important processes for separating azeotropic mixtures in the chemical and biochemical industry. However, heteroazeotropic distillation has received much less attention than extractive distillation, which can be attributed to multiple reasons. The phase equilibrium calculations require a correct evaluation of phase stability, while the topology of the heterogeneous mixtures is generally more complex, comprising multiple azeotropes and distillation regions, resulting in an increased modeling complexity. Due to the integration of distillation columns and a decanter, even the simulation of these processes is considered more challenging, while an optimal process design should include the selection of a suitable solvent, considering the performance of the integrated hybrid process. Yet, the intricate mixture topologies largely impede the use of simplified criteria for solvent selection. To... [more]

In heat exchangers with bypassing, a fraction of the flowrate of one fluid (typically the one whose temperature needs to be controlled tightly) bypasses the exchanger and mixes right after the exchanger outlet with the fraction flowing through the exchanger. The advantages of this configuration are long known. Among them, the most significant is that it can improve heat-transfer control because the temperature dynamics is significantly faster than in a standard heat-exchanger configuration. Additionally, it can increase the rangeability of the process wherein the heat exchanger operates. Existing rules of thumb do not provide univocal indications for assigning the design bypass flowrate. In this study, using a simple graphical representation of steady-state heat and mass balances originally proposed for conventional heat-exchanger design, we clarify why and under which design conditions bypass control can be effective. Increased rangeability results from the fact that the heat-exchange... [more]

One of the challenges for single-screw micro-extrusion or additive manufacturing (AM), thus 3D printing, of polymers is controlling the melting efficiency so that energy and equipment costs can be minimized. Here, a numerical model is presented for AM process design, selecting acrylonitrile−butadiene−styrene (ABS) as viscoelastic reference polymer. It is demonstrated that AM melting is different compared to conventional melting due to variation in extrusion dimensions, leading to a different balance in heating by conduction and viscous heat dissipation as caused by the shearing between the melt layers in the associated film layer near the barrel. The thickness of this melt film layer is variable along the screw length, and it is shown that simplified models assuming an overall average value are too approximate. It is highlighted that the screw frequency, pitch angle and compression ratio are important process parameters to control the point of melt finalization. In addition, the power-... [more]

The evaporation process, boiler, and turbine are the main components of the cogeneration system of the sugar factory. In the conventional process, the evaporator requires extracted steam from the turbine, and bled vapor from the evaporator is supplied to the juice heater and the pan stage. The evaporation process may be modified by using extracted steam for the heating duty in the pan stage. This paper is aimed at the investigation of the effects of this process modification. Mathematical models of the conventional and modified processes were developed for this purpose. It was found that, under the conditions that the total evaporator area is 13,000 m2, and the inlet juice flow rate is 125 kg/s, the optimum modified evaporation process requires extracted steam at a pressure of 157.0 kPa. Under the condition that the fuel consumption rate is 21 kg/s, the cogeneration system that uses the optimum modified evaporation process yields 2.3% more power output than the cogeneration system that... [more]

Semicontinuous distillation is a new separation technology for distilling multicomponent mixtures.
This process was designed using design methodologies with heuristic components that evolved
over twenty years. However, the fundamental philosophy of these design methodologies, which
involves guessing, checking and then using a black-box optimization procedure to find the values
of the design variables to meet some performance criteria, has not changed. Mainly, to address the
problem of having a heuristic simulation termination criterion in the black-box optimization phase,
the single shooting method for semicontinuous distillation design was proposed in this study. We
envision that this is a first step in the transformation of the semicontinuous distillation design
process for obtaining optimal designs. We demonstrate the application of this method using two
case studies, which involve the separation of hexane, heptane and octane.

The Integrated Gasification Combined Cycle (IGCC) possesses a number of advantages over traditional power generation plants, including increased efficiency, flex-fuel, and carbon capture. A lesser-known advantage of the IGCC system is the ability to coordinate with the smart grid. The idea is that process modifications can enable dispatch capabilities in the sense of shifting power production away from periods of low electricity price to periods of high price and thus generate greater revenue. The work begins with a demonstration of Economic Model Predictive Control (EMPC) as a strategy to determine the dispatch policy by directly pursuing the objective of maximizing plant revenue. However, the numeric nature of EMPC creates an inherent limitation when it comes to process design. Thus, Economic Linear Optimal Control (ELOC) is proposed as a surrogate for EMPC in the formulation of the integrated design and control problem for IGCC power plants with smart grid coordination.