We propose a mathematical model for phenol and p-cresol mixture degradation in a continuously stirred bioreactor. The model is described by three nonlinear ordinary differential equations. The novel idea in the model design is the biomass specific growth rate, known as sum kinetics with interaction parameters (SKIP) and involving inhibition effects. We determine the equilibrium points of the model and study their local asymptotic stability and bifurcations with respect to a practically important parameter. Existence and uniqueness of positive solutions are proved. Global stabilizability of the model dynamics towards equilibrium points is established. The dynamic behavior of the solutions is demonstrated on some numerical examples.

Population Balance Modeling (PBM) is a powerful modeling framework that allows the prediction of the dynamics of distributed properties of a population of individuals at the mesoscale [...]

Understanding the influence of gas flow maldistribution in honeycombs can be beneficial for the process design in various technical applications. Although recent studies have investigated the effect of maldistribution by comparing the results of numerical simulations with experimental measurements, an exhaustive 3D full-field comparison is still lacking. Such full-field comparisons are required to identify and eliminate possible limitations of numerical and experimental tools. For that purpose, spatially resolved flow patterns were simulated by computational fluid dynamics (CFD) and measured experimentally by non-invasive NMR velocimetry (MRV). While the latter might suffer from a misinterpretation of artefacts, the reliability of CFD is linked to correctly chosen boundary conditions. Here, a full-field numerical and experimental analysis of the gas flow within catalytic honeycombs is presented. The velocity field of thermally polarized methane gas was measured in a regular 3D-printed... [more]

Hydrogen-fueled fuel cells are considered one of the key strategies to tackle the achievement of fully-sustainable mobility. The transportation sector is paying significant attention to the development and industrialization of proton exchange membrane fuel cells (PEMFC) to be introduced alongside batteries, reaching the goal of complete de-carbonization. In this paper a multi-phase, multi-component, and non-isothermal 3D-CFD model is presented to simulate the fluid, heat, and charge transport processes developing inside a hydrogen/air PEMFC with a serpentine-type gas distributor. Model results are compared against experimental data in terms of polarization and power density curves, including an improved formulation of exchange current density at the cathode catalyst layer, improving the simulation results’ accuracy in the activation-dominated region. Then, 3D-CFD fields of reactants’ delivery to the active electrochemical surface, reaction rates, temperature distributions, and liquid w... [more]

In this study, hydrodynamic interactions between passing and moored ships were studied by applying a time-domain numerical simulation method. The boundary value problem for a fluid domain was formulated based on a potential flow theory. A numerical method was developed based on a finite element method with an efficient re-mesh algorithm. Regarding the free-surface boundary conditions, both double-body and free-surface models were considered for examining the free-surface effect on the hydrodynamic forces due to the passing ship. First, numerical results were validated by comparison with the model test results of Kriebel et al. (2005), where generic Series 60 hulls were considered as the target model for the passing and moored ships. In addition, hydrodynamic pressure fields and force time-series were investigated to understand the passing ship problem. Second, a series of numerical simulations were performed to study the effects of the passing ship speed, separation distance, water dep... [more]

Tip clearance has a great effect on the flow and pressure fluctuation characteristics in a multiphase pump, especially at multiple operating points. The phase distribution and pressure fluctuation in tip clearance in a multiphase pump are revealed using the CFD (computational fluid dynamics) technology and high-speed photography methods. In this paper, the phase distribution, the gas-liquid two-phase velocity slip, and the pressure fluctuation intensity are comprehensively analyzed. Results show with the increase of the tip clearance, the multiphase pump pressurization performance is obviously deteriorated. In the meantime, the gas accumulation mainly occurs at the hub, the blade suction side (SS), and the tip clearance, and the maximum gas-liquid two-phase velocity difference is near the impeller streamwise of 0.4. In addition, the tip clearance improves the gas-liquid two-phase distribution in the pump, that is, the larger the tip clearance is, the more uniform the gas-liquid distrib... [more]

Wettability patterning of a surface is a passive method to manipulate the flow and heat transport mechanism in many physical processes and industrial applications. This paper proposes a rational wettability pattern comprised of multiple superhydrophilic wedges on a superhydrophobic background, which can continuously remove the impacted spray droplets from the horizontal surface. We observed that the spray droplets falling on the superhydrophilic wedge region spread and form a thin liquid film, which is passively transported away from the surface. However, most of the droplets falling on the superhydrophobic region move towards the wedge without any flooding. The physics of the passive transport of the liquid film on a wedge is also delved into using numerical modelling. In particular, we elucidate the different modes of droplet transport in the superhydrophobic region and the interaction of multiple droplets. The observed droplet dynamics could have profound implications in spray cooli... [more]

Recently, the Trailing-Edge Flap with Micro-Tab (TEF with Micro-Tab) has been exploited to enhance the performance of wind turbine blades. Moreover, it can also be used to generate more lift and delay the onset of stall. This study focused mostly on the use of TEF with Micro-Tab in wind turbine blades using NREL’s S-809 as a model airfoil. In particular, the benefits generated by TEF with Micro-Tab may be of great interest in the design of wind turbine blades. In this paper, an attempt was made to evaluate the influence of TEF with Micro-Tab on the performance of NREL’s S-809 airfoils. Firstly, a computational fluid dynamics (CFD) model for the airfoil NREL’s S-809 was established, and validated by comparison with previous studies and wind tunnel experimental data. Secondly, the effects of the flap position (H) and deflection angle (αF) on the flow behaviors were investigated. As a result, the effect of TEF on air-flow behavior was demonstrated by augmenting the pressure coefficient at... [more]

This paper investigated the mechanical response (including breakage and release of the internal liquid) of single core−shell capsules under compression by means of discrete multi-physics. The model combined Smoothed Particle Hydrodynamics for modelling the fluid and the Lattice Spring Model for the elastic membrane. Thanks to the meshless nature of discrete multi-physics, the model can easily account for the fracture of the capsule’s shell and the interactions between the internal liquid and the solid shell. The simulations replicated a parallel plate compression test of a single core−shell capsule. The inputs of the model were the size of the capsule, the thickness of the shell, the geometry of the internal structure, the Young’s modulus of the shell material, and the fluid’s density and viscosity. The outputs of the model were the fracture type, the maximum force needed for the fracture, and the force−displacement curve. The data were validated by reproducing equivalent experimental... [more]

The separation of benzene and cyclohexane azeotrope is one of the most challenging processes in the petrochemical industry. In this paper, deep eutectic solvents (DES) were used as solvents for the separation of benzene and cyclohexane. DES1 (1:2 mix of tetrabutylammonium bromide (TBAB) and levulinic acid (LA)), DES2 (1:2 mix of TBAB and ethylene glycol (EG)) and DES3 (1:2 mix of ChCl (choline chloride) and LA) were used as entrainers, and vapor-liquid equilibrium (VLE) measurements at atmospheric pressure revealed that a DES comprised of a 2:1 ratio of LA and TBAB could break this azeotrope with relative volatility (αij) up to 4.763. Correlation index suggested that the NRTL modelling approach fitted the experimental data very well. Mechanism of extractive distillation gained from FT-IR revealed that with hydrogen bonding and π−π bond interactions between levulinic acid and benzene could be responsible for the ability of this entrainer to break the azeotrope.

Silicone fluids belong to the group of pseudoplastic non-Newtonian fluids with complex rheological characteristics. They are considered in basic and applied researches and in a wide range of industrial applications due to their favorable physical and thermal properties. One of their specific field of applications in the automotive industry is the working fluid of viscous torsional vibration dampers. For numerical studies in the design and development phase of this damping product, it is essential to have thorough rheological knowledge and mathematical description about the silicone oil viscosity. In the present work, adopted rheological measurement results conducted on polydimethylsiloxane manufactured by Wacker Chemie with initial viscosity of 1000 Pas (AK 1 000 000 STAB silicone oil) are processed. As a result of the parameter identification by nonlinear regression, the temperature-dependent parameter curves of the Carreau−Yasuda non-Newtonian viscosity model are generated. By implem... [more]

The 2D P colonies is a version of the P colonies with a two-dimensional environment designed for observing the behavior of the community of very simple agents living in the shared environment. Each agent is equipped with a set of programs consisting of a small number of simple rules. These programs allow the agent to act and move in the environment. The 2D P colonies have been shown to be suitable for the simulations of various (not only) multi-agent systems, and natural phenomena, like flash floods. The Grey wolf algorithm is the optimization-based algorithm inspired by social dynamics found in packs of grey wolves and by their ability to create hierarchies, in which every member has a clearly defined role, dynamically. In our previous papers, we extended the 2D P colony by the universal communication device, the blackboard. The blackboard allows for the agents to share various information, e.g., their position or the information about their surroundings. In this paper, we follow our... [more]

A three-phase separator is the first vessel encountered by well fluids. The application of separators has been of great value to the oil and gas industry. In order to generate the gas phase envelope that is applicable to the study of reservoir fluid and the selection of optimum operating conditions of separators, this research utilizes a specified reservoir fluid stream to simulate a three-phase separator executed in Aspen HYSYS. Subsequently, a comparative study of the effects of specified inlet operating conditions on the output of gas and oil streams was carried out. The results show that changing the inlet pressure of the separator from 1000 to 8000 kPa reduces the gas outlet flow from 1213 to 908.6 kg mol/h, while it increases the liquid flow rate from 374 to 838.0 kg mole/h. By changing the temperature of the separator feed stream from 13 to 83 °C, the gas outlet stream was raised from 707.4 to 1111 kg mol/h, while the liquid flow rate dropped from 1037.0 to 646.1 kg mol/h. It wa... [more]

Due to high demand, monoclonal antibodies (mAbs) production needs to be efficient, as well as maintaining a high product quality. Quality by design (QbD) via predictive process modeling greatly facilitates process understanding and can be used to adjust process parameters to further improve the unit operations. In this work, mechanistic and dynamic kriging models are developed to capture the protein productivity and glycan fractions under different temperatures and pH levels. The design of experiments is used to generate input and output data for model training. The dynamic kriging model shows good performance in capturing the dynamic profiles of cell cultures and glycosylation using only limited input data. The developed model is further used for feasibility analysis, and successfully identifies the operating design space, maintaining high productivity and guaranteed product quality.

Biomass pellets are required as a source of energy because of their abundant and high energy. The rapid measurement of pellets is used to control the biomass quality during the production process. The objective of this work was to use near infrared (NIR) hyperspectral images for predicting the properties, i.e., fuel ratio (FR), volatile matter (VM), fixed carbon (FC), and ash content (A), of commercial biomass pellets. Models were developed using either full spectra or different spatial wavelengths, i.e., interval successive projections algorithm (iSPA) and interval genetic algorithm (iGA), wavelengths and different spectral preprocessing techniques. Their performances were then compared. The optimal model for predicting FR could be created with second derivative (D2) spectra with iSPA-100 wavelengths, while VM, FC, and A could be predicted using standard normal variate (SNV) spectra with iSPA-100 wavelengths. The models for predicting FR, VM, FC, and A provided R2 values of 0.75, 0.81... [more]

In recent years Local Energy Markets (LEM) have emerged as an innovative and versatile energy trade solution. They bring benefits when renewable energy sources are used and are more flexible for consumers. There are, however, security concerns that put the feasibility of the local energy market at risk. One of these security challenges is the integrity of data in the smart-grid that supports the local market. In this article the LEM and the types of attacks that can have a negative impact on it are presented, and a security mechanism based on a trust model is proposed. A case study is elaborated using a multi-agent system called Local Energy Market Multi-Agent System (LEMMAS), capable of simulating the LEM and testing the proposed security mechanism.

Aiming at providing cost-effective approach for upgrading the existing municipal wastewater treatment plants in the cold region of China to meet more stringent discharge standards of nitrogen removal, a full-scale sewage treatment plant with the CASS process was selected through focusing on biological process, key equipment and hydrodynamics in bioreactors by the activated sludge model 1 (ASM1) and computational fluid dynamics (CFD) model. Influent COD fractions and the key characteristic parameters (YH and bH) of the activated sludge were determined through the respirometry at temperatures of 10 °C and 20 °C, respectively. The layout of submerged agitator installation in the bioreactor of the CASS process was optimized through CFD simulation. The calculation of the average relative deviation (less than 20%) between simulated data and the operation data, demonstrated that the ASM1 model could be reasonably used in the wastewater treatment plant simulation. The upgrade solution based on... [more]

The modeling of the refractive index for binary aqueous solutions of boric acid, sodium chloride, potassium chloride, sodium sulfate, lithium sulfate, and potassium sulfate, as well as ternary aqueous solutions of boric acid in the presence of sodium sulfate, lithium sulfate, or potassium chloride, is reported. The refraction index was represented by molar refraction. It was described as the sum of solutes’ partial molar refraction and solvent molar refraction. The solutes’ partial molar refraction was estimated from the molar refraction of the binary solutions. The excess molar refraction for these systems was described with the equation of Wang et al. The polarizability of the solutes present in the studied systems was estimated using the Lorenz−Lorenz relation. The results showed the model is appropriate for describing the systems studied; the interactions of boric acid, sodium, potassium, lithium, chloride, and sulfate ions with water molecules are relevant to explain the molar ref... [more]

A multistage centrifugal pump was developed for high head and high flow rate applications. A double-suction impeller and a twin-volute were installed at the first stage followed by an impeller, diffuser and return vanes for the next four stages. An initial design feasibility study was conducted using three-dimensional computational fluid dynamics tools to study the performance and the hydraulic losses associated with the design. Substantial losses in head and efficiency were observed at the interface between the first stage volute and the second stage impeller. An inducer-type guide vane (ITGV) was installed at this location to mitigate the losses by reducing the circumferential velocity of the fluid exiting the volute. The ITGV regulated the pre-swirl of the fluid entering the second stage impeller. The pump with and without ITGV is compared at the design flow rate. The pump with ITGV increased the stage head by 63.28% and stage efficiency by 47.17% at the second stage. As a result, t... [more]

Graph theory is a well-established mathematical concept that is widely used in numerous applications such as in biology, chemistry and network analysis. The advancement in the theory of graph has led to the development of a concept called autocatalytic set. In this paper, a mathematical modeling technique namely graph-based dynamic modeling of palm oil refining process is introduced. The system parameters are identified in detail in the beginning of the paper. The parameters involved are the chemical compounds used or produced during the refining process. These identified parameters are then modeled as the vertices and edges of the graph. The dynamicity of the system is then simulated and analyzed. The system is simulated using MATLAB software programing. The two final products produced by the refining process agreed with results obtained from other published methods. Hence, the effectiveness and simplicity of the model are established.

As the leading thermal desalination method, multistage flash (MSF) desalination plays an important role in obtaining freshwater. Its dynamic modeling and dynamic performance prediction are quite important for the optimal control, real-time optimal operation, maintenance, and fault diagnosis of MSF plants. In this study, a detailed mathematical model of the MSF system, based on the first principle and its treatment strategy, was established to obtain transient performance change quickly. Firstly, the whole MSF system was divided into four parts, which are brine heat exchanger, flashing stage room, mixed and split modulate, and physical parameter modulate. Secondly, based on mass, energy, and momentum conservation laws, the dynamic correlation equations were formulated and then put together for a simultaneous solution. Next, with the established model, the performance of a brine-recirculation (BR)-MSF plant with 16-stage flash chambers was simulated and compared for validation. Finally,... [more]

Vortex Generators (VGs) are applied before the expected region of separation of the boundary layer in order to delay or remove the flow separation. Although their height is usually similar to that of the boundary layer, in some applications, lower VGs are used, Sub-Boundary Layer Vortex Generators (SBVGs), since this reduces the drag coefficient. Numerical simulations of sub-boundary layer vane-type vortex generators on a flat plate in a negligible pressure gradient flow were conducted using the fully resolved mesh model and the cell-set model, with the aim on assessing the accuracy of the cell-set model with Reynolds-Averaged Navier-Stokes (RANS) and Large Eddy Simulation (LES) turbulence modelling techniques. The implementation of the cell-set model has supposed savings of the 40% in terms of computational time. The vortexes generated on the wake behind the VG; vortical structure of the primary vortex; and its path, size, strength, and produced wall shear stress have been studied. Th... [more]

Dissolved oxygen plays a key role in microalgal growth at high density. This effect was so far rarely quantified. Here we propose a new model to represent the combined effect of light, oxygen concentration and temperature (LOT-model) on microalgae growth. The LOT-model introduces oxygen concentration in order to represent the oxidative stress affecting the cultures, adding a toxicity term in the expression of the net growth rate. The model was validated with experimental data for several species such as Chlorella minutissima, Chlorella vulgaris, Dunaliella salina, Isochrysis galbana. It successfully predicted experimental records with an average error lower than 5.5%. The model was also validated using dynamical data where oxygen concentration varies. It highlights a strong impact of oxygen concentration on productivity, depending on temperature. The model quantifies the sensitivity to oxidative stress of different species and shows, for example, that Dunaliella salina is much less aff... [more]

A symmetrical NACA 0018 airfoil is often used in such applications as small-to-medium scale vertical-axis wind turbines and aerial vehicles. A review of the literature indicates a large gap in experimental studies of this airfoil at low and moderate Reynolds numbers in the previous century. This gap has limited the potential development of classical turbulence models, which in this range of Reynolds numbers predict the lift coefficients with insufficiently accurate results in comparison to contemporary experimental studies. Therefore, this paper validates the aerodynamic performance of the NACA 0018 airfoil and the characteristics of the laminar separation bubble formed on its suction side using the standard uncalibrated four-equation Transition SST turbulence model and the unsteady Reynolds-averaged Navier-Stokes (URANS) equations. A numerical study was conducted for the chord Reynolds number of 160,000, angles of attack between 0 and 11 degrees, as well as for the free-stream turbule... [more]

The application of white box models in digital twins is often hindered by missing knowledge, uncertain information and computational difficulties. Our aim was to overview the difficulties and challenges regarding the modelling aspects of digital twin applications and to explore the fields where surrogate models can be utilised advantageously. In this sense, the paper discusses what types of surrogate models are suitable for different practical problems as well as introduces the appropriate techniques for building and using these models. A number of examples of digital twin applications from both continuous processes and discrete manufacturing are presented to underline the potentials of utilising surrogate models. The surrogate models and model-building methods are categorised according to the area of applications. The importance of keeping these models up to date through their whole model life cycle is also highlighted. An industrial case study is also presented to demonstrate the app... [more]