Biomass is currently one of the world’s major renewable energy sources. Biomass in a powder form has been recently proposed as the most encouraging of biomass contours, especially because it burns like a gas. In the current study, biomass powder was examined, for the first time, as a direct solid fuel in internal combustion engines. The aim of the current study was to investigate modeling tools for simulation of biomass powder in combustion engines (CE). The biomass powder applied was in a micro-scale size with a typical irregular shape; the powder length was in the range of 75−5800 μm, and the diameter was in the range 30−1380 μm. Different mechanisms for biomass powder drying and devolatilization/gasification were proposed, including different schemes’ and mechanisms’ rate constants. A comparison between the proposed models and experiments was carried out and results showed good matching. Nevertheless, it is important that a biomass powder simulation addresses overlapping/complicated... [more]

The invention of reconfigurable manufacturing systems (RMSs) has created a challenging problem: how to quickly and effectively modify an RMS to address dynamic changes in a manufacturing system, such as processing failures and rework, machine breakdowns, addition of new machines, addition of new products, removal of old machines, and changes in processing routes induced by the competitive global market. This paper proposes a new model, the intelligent colored token Petri net (ICTPN), to simulate dynamic changes or reconfigurations of a system. The main idea is that intelligent colored tokens denote part types that represent real-time knowledge about changes and status of a system. Thus, dynamic configurations of a system can be effectively modeled. The developed ICTPN can model dynamic changes of a system in a modular manner, resulting in the development of a very compact model. In addition, when configurations appear, only the changed colored token of the part type from the current mo... [more]

Thermochemical hydrogen production is of great interest due to the potential for significantly reducing the dependence on fossil fuels as energy carriers. In a solar plant, the solar receiver is the unit in which solar energy is absorbed by a fluid and/or solid particles and converted into thermal energy. When the solar energy is used to drive a reaction, the receiver is also a reactor. The wide variety of thermochemical processes, and therefore of operating conditions, along with the technical requirements of coupling the receiver with the concentrating system have led to the development of numerous reactor configurations. The scope of this work is to identify general guidelines for the design of solar reactors/receivers. To do so, an overview is initially presented of solar receiver/reactor designs proposed in the literature for different applications. The main challenges of modeling these systems are then outlined. Finally, selected examples are discussed in greater detail to highli... [more]

Oxidative coupling of methane (OCM) is a process to directly convert methane into ethylene. However, its ethylene yield is limited in conventional reactors by the nature of the reaction system. In this work, the integration of different membranes to increase the overall performance of the large-scale oxidative coupling of methane process has been investigated from a techno-economic point of view. A 1D membrane reactor model has been developed, and the results show that the OCM reactor yield is significantly improved when integrating either porous or dense membranes in packed bed reactors. These higher yields have a positive impact on the economics and performance of the downstream separation, resulting in a cost of ethylene production of 595−625 €/tonC2H4 depending on the type of membranes employed, 25−30% lower than the benchmark technology based on oil as feedstock (naphtha steam cracking). Despite the use of a cryogenic separation unit, the porous membranes configuration shows gener... [more]

Ice cream viscosity is one of the properties that most changes during crystallization in scraped surface heat exchangers (SSHE), and its online measurement is not easy. Its estimation is necessary through variables that are easy to measure. The temperature and power of the stirring motor of the SSHE turn out to be this type of variable and are closely related to the viscosity. Therefore, a mathematical model based on these variables proved to be feasible. The development of this mathematical relationship involved the rheological study of the ice cream base, as well as the application of a method for its in situ melting in the rheometer as a function of the temperature, and the application of a mathematical model correlating the SSHE stirring power and the ice cream viscosity. The result was a coupled model based on both the temperature and stirring power of the SSHE, which allowed for online viscosity estimation with errors below 10% for crystallized systems with a 30% ice fraction at... [more]

During mathematical representation of microbial cultures, it is normally assumed that changes in the environment produce instantaneous effects on growth. However, reports are available indicating that sometimes this may not be the case. This work studied the existence of delays on the response of a population of microalgae when subjected to changes in energy and carbon sources, and when exposed to a growth inhibitor. Results show that no appreciable delays exist when microalgae undergo changes in the incident light intensity. For changes in carbon source concentration (inorganic carbon), a small delay in the range of minutes was detected. Finally, when exposing microalgae to inhibitory concentrations of ammonia, a significant delay of several hours was observed.

The performance of cross-flow ultrafiltration is greatly influenced by permeate flux behavior, which depends on many factors, including solution properties, membrane characteristics, and operating conditions. Currently, most research focuses on improving membrane performance, both in terms of permeability and selectivity. Only a few studies have paid attention to how the membrane module is configured and operated. In this study, the geometric design and operating conditions of a membrane module are considered as multivariable optimization variables. The objective function is the annual cost. The cost consists of a capital investment depending on the plant scale and an operating expense associated with energy consumption. In the optimization problem, the channel dimensions (width × length × height), and operating conditions (the inlet pressure and recirculation flow rate) were considered as decision variables. The operating configuration of the membrane plant is assumed to be feed and b... [more]

Computational Fluid Dynamics (CFD) has been firmly established as a fundamental discipline to advancing research on energy engineering. The major progresses achieved during the last two decades both on software modelling capabilities and hardware computing power have resulted in considerable and widespread CFD interest among scientist and engineers. Numerical modelling and simulation developments are increasingly contributing to the current state of the art in many energy engineering aspects, such as power generation, combustion, wind energy, concentrated solar power, hydro power, gas and steam turbines, fuel cells, and many others. This review intends to provide an overview of the CFD applications in energy and thermal engineering, as a presentation and background for the Special Issue “CFD Applications in Energy Engineering Research and Simulation” published by Processes in 2020. A brief introduction to the most significant reviews that have been published on the particular topics is... [more]

In this work we present the model of a counter-current spray column in which a triglyceride (tripalmitic triglyceride) is hydrolyzed by water and leads to fatty acid (palmitic acid) and glycerol. A finite volume model (FVM) of the column was developed to describe the reactive extraction process with a two-phase system and validated with an analytical model from the literature with the given data set encompassing six experimental runs. Global, variance-based (Sobol) sensitivity analysis allowed assessment of the sensitivity of the sweet water glycerol content in respect to liquid density, overall mass-transfer coefficient, reaction rate coefficient and the equilibrium ratio to rank them accordingly. Furthermore, parameter estimation with a differential evolution (DE) algorithm was performed to obtain among others the mass transfer, backmixing and reaction rate coefficients. The model was used to formulate and solve a process design problem regarding economic and sustainable performance.... [more]

In this study, the continuous Single-Pass Tangential Flow Filtration (SPTFF) concept is adapted for high protein concentrations. The work is based on the previously validated physico-chemical model for low concentrations and high viscosities. The model contains the Stagnant Film Model for concentration polarization, as well as the Boundary Layer Model for the mass transfer through the membrane. The pressure drop is calculated as a function of the Reynolds number. By performing preliminary experiments with a single ultrafiltration (UF) cassette, the model parameter are determined. The presented model is validated for a multi-step Single-Pass Tangential Flow Filtration. With subsequent simulation studies, an optimized process is found and confirmed by experiments. The outcome of this work shows the potential to optimize this multi-parameter dependent unit operation. This is reached by a model-based optimization allowing significant reduction of experimental efforts and applying the Quali... [more]

This work analyzes the effects of a BMS (battery management system) on the characterization and modeling of series and parallel connections of Li-ion cell packs. The Li-ion pack studied consists of four series modules connected in parallel. This pack has been characterized by means of charge, discharge and frequency tests. As a result of these tests, series and parallel influence on battery parameters have been determined. A model considering the effects of a BMS is established and compared with a model based on a single-cell approach. Experimental validations show that the single cell based approach gives poor results in comparison with a model that considers BMS effects.

Sugarcane juice is a perishable food with a good nutritional profile. Thus, there is a need to increase its shelf life by reducing water content which facilitates storage and transportation. In this study, process conditions were optimized to concentrate the sugarcane juice at various microwave powers (30, 50, 80, 100 W). A central composite design was applied to optimize the process conditions (power and time). The overall evaporation time depends on microwave powers; increase in power reduced the processing time. The results showed that at 100 W sugarcane juice was concentrated to 75° brix for 15 min which reduced the energy consumption to 1.3 times compared to other powers. Moreover, microwave processing better retained the sensory properties of concentrate and preserved its antioxidant activity. Thus, 100 W was most energy efficient in concentrating sugarcane juice. In general, microwave processing reduced the processing time and cost making it a sustainable approach to concentrate... [more]

In this paper, theories on anisotropic crystal growth and crystallization of atropisomers are reviewed and a model for anisotropic crystal growth from solution containing slow inter-converting conformers is presented. The model applies to systems with growth-dominated crystallization from solutions and assumes that only one conformation participates in the solute integration step and is present in the crystal lattice. Other conformers, defined as the wrong conformers, must convert to the right conformer before they can assemble to the crystal lattice. The model presents a simple implicit method for evaluating the growth inhibition effect by the wrong conformers. The crystal growth model applies to anisotropic growth in two main directions, namely a slow-growing face and a fast-growing face and requires the knowledge of solute crystal face integration coefficients in both directions. A parameter estimation algorithm was derived to extract those coefficients from data about temporal conc... [more]

Kappa number variability at the continuous digester outlet is a major concern for pulp and paper mills. It is evident that the aforementioned variability is strongly linked to the feedstock wood properties, particularly lignin content. Online measurement of lignin content utilizing near-infrared spectroscopy at the inlet of the digester is paving the way for tighter control of the blow-line Kappa number. In this paper, an innovative approach of feedforwarding the lignin content to a model predictive controller was investigated with the help of modeling and simulation studies. For this purpose, a physics-based modeling library for continuous pulp digesters was developed and validated. Finally, model predictive control approaches with and without feedforwarding the lignin measurement were evaluated against current industrial control and proportional-integral-derivative (PID) schemes.

Process development, especially in regulated industries, where quality-by-design approaches have become a prerequisite, is cost intensive and time consuming. A main factor is the large number of experiments needed. Process modelling can reduce this number significantly by replacing experiments with simulations. However, this requires a validated model. In this paper, a process and model development workflow is presented, which focuses on implementing, parameterizing, and validating the model in four steps. The presented methods are laid out to gain, create, or generate the maximum information and process knowledge needed for successful process development. This includes design of experiments and statistical evaluations showing process robustness, sensitivity of target values to process parameters, and correlations between process and target values. Two case studies are presented. An ion exchange capture step for monoclonal antibodies focusing on high accuracy and low feed consumption;... [more]

This editorial provides a brief overview of the Special Issue “Modeling and Simulation of Energy Systems.” This Special Issue contains 21 research articles describing some of the latest advances in energy systems engineering that use modeling and simulation as a key part of the problem-solving methodology. Although the specific computer tools and software chosen for the job are quite variable, the overall objectives are the same—mathematical models of energy systems are used to describe real phenomena and answer important questions that, due to the hugeness or complexity of the systems of interest, cannot be answered experimentally on the lab bench. The topics explored relate to the conceptual process design of new energy systems and energy networks, the design and operation of controllers for improved energy systems performance or safety, and finding optimal operating strategies for complex systems given highly variable and dynamic environments. Application areas include electric powe... [more]

A heat-exchanger/reactor (HEX reactor) is a kind of plug-flow chemical reactor which combines high heat transfer ability and chemical performance. It is a compact reactor designed under the popular trend of process intensification in chemical engineering. Previous studies have investigated its characteristics experimentally. This paper aimed to develop a general numerical model of the HEX reactor for further control and diagnostic use. To achieve this, physical structure and hydrodynamic and thermal performance were studied. A typical exothermic reaction, which was used in experiments, is modeled in detail. Some of the experimental data without reaction were used for estimating the heat transfer coefficient by genetic algorithm. Finally, a non-linear numerical model of 255 calculating modules was developed on the Matlab/Simulink platform. Simulations of this model were done under conditions with and without chemical reactions. Results were compared with reserved experimental data to sh... [more]

Fuel cells are promising devices to transform chemical energy into electricity; their behavior is described by principles of electrochemistry and thermodynamics, which are often difficult to model mathematically. One alternative to overcome this issue is the use of modeling methods based on artificial intelligence techniques. In this paper is proposed a hybrid scheme to model and control fuel cell systems using neural networks. Several feature selection algorithms were tested for dimensionality reduction, aiming to eliminate non-significant variables with respect to the control objective. Principal component analysis (PCA) obtained better results than other algorithms. Based on these variables, an inverse neural network model was developed to emulate and control the fuel cell output voltage under transient conditions. The results showed that fuel cell performance does not only depend on the supply of the reactants. A single neuro-proportional−integral−derivative (neuro-PID) controller... [more]

Kinetic modeling of the bulk free radical copolymerizations of n-butyl acrylate (BA) and 2-ethylhexyl acrylate (EHA); methyl methacrylate (MMA) and EHA; as well as BA, MMA and EHA was performed using the software PREDICI®. Predicted results of conversion versus time, composition versus conversion, and molecular weight development are compared against experimental data at different feed compositions. Diffusion-controlled effects and backbiting for BA were incorporated into the model as they proved to be significant in these polymerizations. The set of estimated global parameters allows one to assess the performance of these copolymerization systems over a wide range of monomer compositions.

As of today, industrial process development for liquid-liquid extraction and scale-up of extraction columns is based on an experimental procedure that requires tests in pilot-scale. This methodology consumes large amounts of material and time and the utilized scale-up equations are crude estimates including considerable safety margins. This approach is practical for well-known systems or low-value products coupled with high production scale, where such a scale-up methodology has less impact on the overall profitability. However, for new high-value products in biologics manufacturing, a process development based on process understanding and the use of validated process models is imperative. Therefore, a distinct and quantitative validation workflow for liquid-liquid extraction modeling is presented on the example of two complex feed mixtures. Monte-Carlo simulations based on the presented model parameter determination concept result for both examples in prediction accuracy comparable to... [more]

This presentation discusses the development and use of graphical user interfaces (GUIs) as cyber-assisted educational tools for instructing and engaging undergraduate chemical engineering students, training graduate students for computational research in science and engineering, and introducing lay audiences to chemical engineering concepts in informal learning environments outside of the classroom. A GUI encapsulates computational software within a visual environment where users can provide interactive input through brief text or point-and-click controls and display query or simulation results through an automated process without needing to learn a programming language or specific commands. MATLAB and Python are two popular software environments for science and engineering used in many university chemical engineering programs worldwide. Both provide excellent user support for rapid development of professional-quality GUIs by engineering educators, academic researchers, and science and... [more]

The cost and power consumption of DC power amplifiers are much greater than that of AC power converters. Compared to a motorized spindle supported with DC magnetic bearings, a motorized spindle supported with AC magnetic bearings is inexpensive and more efficient. This paper studies a five-degrees-of-freedom (5-DOF) motorized spindle supported with AC hybrid magnetic bearings (HMBs). Most models of suspension forces, except a “switching model”, are quite accurate, but only in a particular operating area and not in regional coverage. If a “switching model” is applied to a 5-DOF motorized spindle, the real-time performance of the control system can be significantly decreased due to the large amount of data processing for both displacement and current. In order to solve this defect, experiments based on the “switching model” are performed, and the resulting data are analyzed. Using the data analysis results, a “full prediction model” based on the operating state is proposed to improve rea... [more]

Intensified and accelerated development processes are being demanded by the market, as innovative biopharmaceuticals such as virus-like particles, exosomes, cell and gene therapy, as well as recombinant proteins and peptides will possess no available platform approach. Therefore, methods that are able to accelerate this development are preferred. Especially, physicochemical rigorous process models, based on all relevant effects of fluid dynamics, phase equilibrium, and mass transfer, can be predictive, if the model is verified and distinctly quantitatively validated. In this approach, a macroscopic kinetic model based on Monod kinetics for mammalian cell cultivation is developed and verified according to a general valid model validation workflow. The macroscopic model is verified and validated on the basis of four decision criteria (plausibility, sensitivity, accuracy and precision as well as equality). The process model workflow is subjected to a case study, comprising a Chinese hamst... [more]

In this talk, I give an overview of the chemical engineering curriculum at McMaster University as it relates to the 1.5 year process design sequence. The courses outside the design sequence were recently restructured and redesigned to create an environment with more modelling and algorithmic thinking/algorithmic problem solving. This includes a statistics course and a big data / machine learning course. The end result is that the design sequence is able to focus on state of the art tools and methods for process design because students receive many fundamental principles before the design sequence begins.

A significant quantity of tocochromanols and carotenoids remains in the residual from palm oil production by traditional screw pressing. Supercritical carbon dioxide extraction was used as alternative method with the purpose to recover better these valuable minor compounds. Total oil yield and co-extracted water were investigated in the course of extraction. Tocochromanols and carotenoids were evaluated, not only in the extraction oil, but also in the oil of residual fibre. Modelling of extraction process was also performed for a further up-scaling. The results showed that oil yield up to 90% could be observed within 120 min. Supercritical carbon dioxide (SCCO₂) could extract tocochromanols and carotenoids with concentration in the same range of normal commercial processing palm oil, while co-extracted water remained rather low at a level of 2⁻4%. Moreover, recovery efficiencies of these minor compounds were much higher in case of extraction processed with supercritical carbon dioxide... [more]