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Records with Subject: Modelling and Simulations
4280. LAPSE:2023.6188
Numerical Optimization of Spray-Guided Spark Assistance for Cold Idle Operation in a Heavy-Duty Gasoline Compression Ignition Engine
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: cold operation, Computational Fluid Dynamics, design of experiments, gasoline compression ignition, Optimization, spark assistance
This article describes the results of a response surface model (RSM)-based numerical optimization campaign for spray-guided spark assistance at cold operations in a heavy-duty gasoline compression ignition (GCI) engine. On the basis of an earlier work on spark-assisted GCI cold combustion, a space-filling design of experiments (DoE) method was first undertaken to investigate a multitude of hardware design variables and engine operating parameters. The main design variables included the number of injector nozzles, fuel split quantities and injection timings, and spark timing. The objective variables were engine combustion efficiency (ŋc), maximum pressure rise rate (MPRR), and engine-out nitrogen oxide (NOx) emissions. A total of 150 design candidates were automatically generated using the Sobol sequence method provided by the commercial software package, CAESES. Then, closed-cycle computational fluid dynamic (CFD) spark-assisted GCI simulations under cold idling operations were perform... [more]
4281. LAPSE:2023.6181
Understanding the Impact of Reservoir Low-Permeability Subdomains in the Steam Injection Process
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: barriers, heavy oil, low permeability, mature fields, numerical simulation, steam injection
Optimizing production in the mature fields of heavy oil reservoirs is still challenging. In most cases, conventional recovery techniques are not effective, although they are suitable for applying thermal recovery methods. Steam injection involves injecting steam into the reservoir where the heat exchange with the oil occurs. This promotes a reduction in oil viscosity and thus increases its mobility. One of the challenges of the EOR project is understanding how the presence of regions with contrasting properties, such as fractures, caves, and barriers, could affect the steam flow. This work investigates the impact of low-permeability barriers in the steam injection process. The barriers were created on a semi-synthetic reservoir characteristic of Brazilian onshore mature fields. We used the three-phase pseudo-compositional reservoir simulation STARS (Steam Thermal Advanced Processes Reservoir Simulation) for simulations. Our results show that the shape, number, and arrangement of barrie... [more]
4282. LAPSE:2023.6169
Voltage Sag Mitigation Effect Considering Failure Probability According to the Types of SFCL
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: power distribution reliability, power quality, superconducting fault current limiter (SFCL), voltage sag
The development of industrial technology is based on electronic devices that are sensitive to power quality. Thus, the demand for high-quality and reliable power supplies is increasing. Voltage sag results in severe problems in the manufacturing process of power quality-sensitive industrial loads. When a fault occurs in a multi-ground power distribution system, the magnitudes of the fault current and voltage sag in the faulted and nonfaulted feeders become high. Hence, installing a superconducting fault current limiter (SFCL) is an effective method of compensating for fault current limitation and voltage sag. This study evaluates the effects of improving the magnitude, duration, and frequency of the voltage sag according to the type of SFCL used. First, a fault in the power distribution system is analyzed using PSCAD/EMTDC, a power system simulation software, according to the fault current-limiting element (CLE) and the type of SFCL. Second, the expected voltage sag frequency caused by... [more]
4283. LAPSE:2023.6157
Computational Fluid Dynamic Simulation of Leakage Acoustic Waves Propagation Model for Gas Pipelines
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: acoustic waves, Computational Fluid Dynamics, natural gas pipelines, propagation model
When leakage occurs for natural gas pipelines, acoustic waves generated at the leakage point will propagate to both ends of the pipe, which will be measured and processed to detect and locate the leakage. When acoustic waves propagate in the gas, the amplitude will attenuate and the waveform will spread, which decides the installation distance of acoustic sensors. Therefore, computational fluid dynamic (CFD) simulation research on the acoustic wave propagation model is accomplished and verified by experiments to provide the foundation for the acoustic leak location method. The propagation model includes two parts: amplitude attenuation model and waveform spreading model. Both can be obtained by the established CFD simulation model. Additionally, the amplitude attenuation model can be verified by the experiments. Then, the simulation method is applied to conclude the propagation model under variable conditions, including different flow directions, Reynolds numbers, and diameters. Finall... [more]
4284. LAPSE:2023.6150
Design Challenges in Hydrogen-Fueled Rotary Engine—A Review
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: Computational Fluid Dynamics, hydrogen injection, rotary engine, rotor profile, seal leakage
The rotary engine (RE) is a potential power plant for unmanned aerial vehicles (UAVs) and automobiles because of its structural and design merits. However, it has some serious drawbacks, such as frequent maintenance requirements and excessive fuel consumption. This review paper presents the current status of hydrogen-fueled rotary engine (HRE) technology and identifies the existing research and development gaps in combustion efficiency and performance of this engine that might benefit transportation sector. Focusing primarily on the research from past ten years, the crucial challenges encountered in hydrogen-powered rotary engines have been reviewed in terms of knock, hydrocarbon (HC) emissions, and seal leakages. The paper identifies the recent advances in design concepts and production approaches used in hydrogen-fueled rotary engines such as geometric models of trochoid profiles, port configurations, fuel utilization systems, and currently available computational fluid dynamics (CFD... [more]
4285. LAPSE:2023.6147
Numerical Simulation on Effect of Separator Thickness on Coupling Phenomena in Single Cell of PEFC under Higher Temperature Operation Condition at 363 K and 373 K
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: higher temperature, mass and current density distribution, numerical simulation, PEFC, relative humidity, separator thickness
In hydrogen energy systems, the polymer electrolyte fuel cell (PEFC) is an important component. The purpose of this study is to clarify the effect of separator thickness (s.t.) in PEFC on the distributions of mass such as H2, O2, H2O and current density when PEFC is operated at 363 K and 373 K. The relative humidity (RH) of supply gases also impacts the operation. The numerical simulation (using a 3D model) with COMSOL Multiphysics has been conducted to analyze the characteristics of PEFC. It has been observed that the molar concentration of H2 using s.t. of 2.0 mm is smaller compared with the thinner s.t. cases at the initial operation temperature of a cell (Tini) = 363 K and 373 K. The molar concentration of O2 using s.t. of 2.0 mm is smaller compared with the thinner s.t. cases at Tini = 373 K, as well as the case for the RH of supply gases at the anode of 40%RH and cathode of 40%RH (A40%RH/C40%RH) irrespective of Tini. Additionally, it has been clarified that the molar concentratio... [more]
4286. LAPSE:2023.6143
Wing Deformation of an Airborne Wind Energy System in Crosswind Flight Using High-Fidelity Fluid−Structure Interaction
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: airborne wind energy, Chimera, Computational Fluid Dynamics, fluid–structure interaction
Airborne wind energy (AWE) is an emerging technology for the conversion of wind energy into electricity. There are many types of AWE systems, and one of them flies crosswind patterns with a tethered aircraft connected to a generator. The objective is to gain a proper understanding of the unsteady interaction of air and this flexible and dynamic system during operation, which is key to developing viable, large AWE systems. In this work, the effect of wing deformation on an AWE system performing a crosswind flight maneuver was assessed using high-fidelity time-varying fluid−structure interaction simulations. This was performed using a partitioned and explicit approach. A computational structural mechanics (CSM) model of the wing structure was coupled with a computational fluid dynamics (CFD) model of the wing aerodynamics. The Chimera/overset technique combined with an arbitrary Lagrangian−Eulerian (ALE) formulation for mesh deformation has been proven to be a robust approach to simulati... [more]
4287. LAPSE:2023.6133
A Nonlinear Dynamic Model for Characterizing the Downhole Motions of the Sidetracking Tool in a Multilateral Well
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: nonlinear dynamics, sidetracking tool, vibration, window milling, window profile
It is of practical interest to investigate the mechanical behaviors of a sidetracking tool system and to describe the sidetracking tool’s vibration mechanical response, as this can provide an important basis for evaluating and optimizing the tool structure and effectively controlling the profile of the sidetracking window. In this article, three nonlinear dynamic models with ten, six, and two degrees of freedom, respectively, are established using the Lagrange method to characterize the behavior of the sidetracking tool. It should be noted that in these models, the axial, lateral, and torsional vibration of the tool system are fully coupled. The process of the sidetracking tool mills in the casing-pipe wall is divide into three typical stages, i.e., the window mill, pilot mill, and watermelon mill grinding the casing, respectively. The dynamic response of the three stages is studied to more effectively analyze the influence of the sidetracking tool vibration deformation on the window w... [more]
4288. LAPSE:2023.6130
The Contribution of Petroleum Charging Episodes to Different Strike-Slip Fault Zones in the Shunbei Area, the Tarim Basin, NW China
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: contribution, hydrocarbon charge, oil inclusion, Shunbei area, strike-slip fault zone, Tarim Basin
In recent years, newly discovered ultra-deep fault-karst reservoirs in the Shunbei area of the Tarim Basin have greatly increased the prospectivity of the basin and become a hotspot for further hydrocarbon exploration. In this study, the diagenetic sequences of the Lower-Middle Ordovician reservoir were established through observation of thin sections under transmitted light, reflected light, and cathode luminescence. The hydrocarbon charge history in the Shunbei area was reconstructed and associated with a series of diagenetic events using fluid inclusion microthermometric measurements combined with one-dimensional basin modeling. The results show that the Shunbei area has experienced three hydrocarbon charging episodes in total, in the late Caledonian, late Hercynian, and late Himalayan. Finally, the relationship between measured QF-535 factors and the API gravity of crude oil was used to quantify the level of contribution of each of the petroleum charging episodes to the No. 1, No.... [more]
4289. LAPSE:2023.6129
Development of the EM Field in a Shielding Enclosure with Aperture after Interference Caused by a Subnanosecond High-Power Parallelly Polarized EM Plane Wave Pulse
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: CST Studio, electromagnetic field shielding, electromagnetic interference, EMI, numerical simulation of EM field, parallel polarization of high-power EM pulse, shielding box, shielding enclosure with aperture
Due to the increase in the threat of attacks with high-power electromagnetic (EM) pulses, there is great interest in metallic enclosures with high shielding effectiveness (SE). Necessary technological apertures in these enclosures reduce their effectiveness. Understanding the penetration and internal propagation of the high-power EM pulses into an apertured enclosure is fundamental to assessing the EM SE of the enclosure. In the present paper, results of the numerical simulations of development of the EM field in a shielding enclosure with aperture after the interference of a subnanosecond high-power EM plane wave pulse of the parallel polarization (having the duration of 0.3558 ns and the amplitudes of the electric and magnetic fields of 106 V/m and 2.6 × 103 A/m, respectively) are presented. The results obtained include 3D and 2D images , vector maps of the EM field developed inside the enclosure, and time-varying distributions of the electric charges formed on the inner walls of the... [more]
4290. LAPSE:2023.6127
A Second-Order Singular Perturbation for Model Simplification for a Microgrid
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: microgrid, model simplification, second-order singular perturbation
As the integration of electronic-interfaced devices have increased, microgrid models have become too complex to perform a stability analysis. Thus, an effective model simplification method keeping most dynamics of the system becomes very essential. Singular perturbation is a common way for model simplification. However, its accuracy is insufficient when nonlinear properties dominate. This is caused by the “Quasi-Steady State Assumption” that traditional singular perturbation holds. By assuming that microgrid can only be stabilized when fast variables stop variating, the traditional method ignores some common phenomena before a stabilization occurs, leading to a loss of dynamics. To improve the accuracy, this paper proposes a “second-order singular perturbation”. Here, the traditional “Quasi-Steady State” is updated to a scenario that third-order derivatives of fast variables become zero before the microgrid stabilizes. The updated assumption covers more common phenomena before a stabil... [more]
4291. LAPSE:2023.6125
Challenges and Perspectives of Smart Grid Systems in Islands: A Real Case Study
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: deep learning, energy management, energy time series, microgrid, smart grid
Islands are facing significant challenges in meeting their energy needs in a sustainable, affordable, and reliable way. Traditionally, the primary source of electricity on the islands has been imported diesel fuel, with high financial costs for most utilities. In this context, even replacing part of the traditional production with renewable energy source can reduce costs and improve the quality of life of islanders. However, integrating large amounts of renewable energy production into existing grids introduces many concerns regarding feasibility, economic analysis, and technical implementation. From this point of view, machine learning and deep learning techniques are efficient tools to mitigate these problems. Their potential results are beneficial considering isolated grids of small islands which are not connected to the national grid. In this paper, a study of the Italian island of Ponza is carried out. The isolation leads to several challenges, such as the high cost related to the... [more]
4292. LAPSE:2023.6116
Analysis of the Influencing Factors of the Leak Detection Method Based on the Disturbance-Reflected Signal
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: disturbance signal, dynamic mesh, impact analysis, leak detection, positioning accuracy
Leak detection technology, based on the disturbance-reflected signal, can realize pipeline state inspection without relying on the transient characteristics of leakage. However, the lack of research on the factors affecting the detection effect of this method greatly restricts its popularization and application. Therefore, this paper realizes the valve opening and closing through dynamic mesh technology and further establishes a 2D pipeline disturbance and reflection signal detection model. The correctness of the computational fluid dynamics (CFD) model detection mechanism was verified by theoretical analysis and indoor pipe flow experiments. In this process, it was found that reflections from boundaries, such as the pipe end, could also be identified and did not interfere with leak-related signals. In addition, the positioning errors of the leakage hole and the pipe end were 4.447% and 0.121%, respectively, and accurate positioning with zero error was able to be achieved in the calcul... [more]
4293. LAPSE:2023.6108
Analysis of the Surface Subsidence Induced by Mining Near-Surface Thick Lead-Zinc Deposit Based on Numerical Simulation
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: accurate model, near-surface thick deposit, numerical simulation, surface subsidence, unmanned aerial survey
This paper describes a case study of surface subsidence in the Hongling Lead-Zinc Mine. Hongling Lead-Zinc Mine is located in Inner Mongolia, China, about 240 km away from the border between China and Mongolia. There is a batch of outcrops of the near-surface thick steep-dip metamorphic orebody. The large-scale surface subsidence induced by underground excavation has brought some impact on the safety of herdsmen and their daily husbandry activities nearby. The requirements of reclamation for subsidence areas in the relevant laws and regulations, raise enormous pressure and risk on safe and economic operation. In this paper, a 3D numerical model of this mine was built by 3DMine and FLAC3D to analyse the excavation procedure and mechanism. The results of the simulation were in good agreement with the field subsidence data collected by satellites and unmanned aerial vehicles from 2009 to 2019. The analysis showed that the current mining method—an integrated underground method of stoping a... [more]
4294. LAPSE:2023.6094
A Proper Shape of the Trailing Edge Modification to Solve a Housing Damage Problem in a Gas Turbine Power Plant
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: aerodynamics, compressor blade, Computational Fluid Dynamics, computer simulation, finite element analysis, gas turbine, housing damage, power plant, structural dynamics, trailing edge
To solve the housing damage problem of a fractured compressor blade (CB) caused by an impact on the inner casing of a gas turbine in the seventh stage (from 15 stages), modifications of the trailing edge (TE) of the CB have been proposed, namely 6.5 mm curved cutting and a combination of 4 mm straight cutting with 6.5 mm curved cutting. The simulation results of the modifications in both aerodynamics variables Cl and Cd and the pressure ratio, including structural dynamics such as a normalized power spectrum, frequency, total deformation, equivalent stress, and the safety factor, found that 6.5 mm curved cutting could deliver the aerodynamics and structural dynamics similar to the original CB. This result also overcomes the previous work that proposed 5.0 mm straight cutting. This work also indicates that the operation of a CB gives uneven pressure and temperature, which get higher in the TE area. The slightly modified CB can present the difference in the properties of both the aerodyn... [more]
4295. LAPSE:2023.6088
Simulation of Diffusion Processes in Chemical and Thermal Processing of Machine Parts
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: diffusion layer, hardening, mathematical modeling, nitriding, Steel, surface hardness
To solve a number of technological issues, it is advisable to use mathematical modeling, which will allow us to obtain the dependences of the influence of the technological parameters of chemical and thermal treatment processes on forming the depth of the diffusion layers of steels and alloys. The paper presents mathematical modeling of diffusion processes based on the existing chemical and thermal treatment of steel parts. Mathematical modeling is considered on the example of 38Cr2MoAl steel after gas nitriding. The gas nitriding technology was carried out at different temperatures for a duration of 20, 50, and 80 h in the SSHAM-12.12/7 electric furnace. When modeling the diffusion processes of surface hardening of parts in general, providing a specifically given distribution of nitrogen concentration over the diffusion layer’s depth from the product’s surface was solved. The model of the diffusion stage is used under the following assumptions: The diffusion coefficient of the saturat... [more]
4296. LAPSE:2023.6080
Influence of Macroscopic Wall Structures on the Fluid Flow and Heat Transfer in Fixed Bed Reactors with Small Tube to Particle Diameter Ratio
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: CFD-DEM simulation, fixed bed reactor, Fluid Dynamics, heat transfer, wall structure
Fixed bed reactors are widely used in the chemical, nuclear and process industry. Due to the solid particle arrangement and its resulting non-homogeneous radial void fraction distribution, the heat transfer of this reactor type is inhibited, especially for fixed bed reactors with a small tube to particle diameter ratio. This work shows that, based on three-dimensional particle-resolved discrete element method (DEM) computational fluid dynamics (CFD) simulations, it is possible to reduce the maldistribution of mono-dispersed spherical particles near the reactor wall by the use of macroscopic wall structures. As a result, the lateral convection is significantly increased leading to a better radial heat transfer. This is investigated for different macroscopic wall structures, different air flow rates (Reynolds number Re = 16 ...16,000) and a variation of tube to particle diameter ratios (2.8, 4.8, 6.8, 8.8). An increase of the radial velocity of up to 40%, a reduction of the thermal entry... [more]
4297. LAPSE:2023.6079
Modelling Methods and Validation Techniques for CFD Simulations of PEM Fuel Cells
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: catalyst layer, CFD simulation, gas diffusion layer, multi-phase fuel cells modelling, PEM testing, PEM validation, polymeric membrane, Proton Exchange Membrane Fuel Cells
The large-scale adoption of fuel cells system for sustainable power generation will require the combined use of both multidimensional models and of dedicated testing techniques, in order to evolve the current technology beyond its present status. This requires an unprecedented understanding of concurrent and interacting fluid dynamics, material and electrochemical processes. In this review article, Polymer Electrolyte Membrane Fuel Cells (PEMFC) are analysed. In the first part, the most common approaches for multi-phase/multi-physics modelling are presented in their governing equations, inherent limitations and accurate materials characterisation for diffusion layers, membrane and catalyst layers. This provides a thorough overview of key aspects to be included in multidimensional CFD models. In the second part, advanced diagnostic techniques are surveyed, indicating testing practices to accurately characterise the cell operation. These can be used to validate models, complementing the... [more]
4298. LAPSE:2023.6069
Real-World Failure Prevention Framework for Manufacturing Facilities Using Text Data
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: deep learning, facility failure, pattern mining, pre-failure alert, smart manufacturing, text data analysis
In recent years, manufacturing companies have been continuously engaging in research for the full implementation of smart factories, with many studies on methods to prevent facility failures that directly affect the productivity of the manufacturing sites. However, most studies have only analyzed sensor signals rather than text manually typed by operators. In addition, existing studies have not proposed an actual application system considering the manufacturing site environment but only presented a model that predicts the status or failure of the facility. Therefore, in this paper, we propose a real-world failure prevention framework that alerts the operator by providing a list of possible failure categories based on a failure pattern database before the operator starts work. The failure pattern database is constructed by analyzing and categorizing manually entered text to provide more detailed information. The performance of the proposed framework was evaluated utilizing actual manufa... [more]
4299. LAPSE:2023.6049
Machine Learning-Based Energy System Model for Tissue Paper Machines
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: energy consumption, energy system, modeling and simulation, pulp and paper
With the global energy crisis and environmental pollution intensifying, tissue papermaking enterprises urgently need to save energy. The energy consumption model is essential for the energy saving of tissue paper machines. The energy consumption of tissue paper machine is very complicated, and the workload and difficulty of using the mechanism model to establish the energy consumption model of tissue paper machine are very large. Therefore, this article aims to build an empirical energy consumption model for tissue paper machines. The energy consumption of this model includes electricity consumption and steam consumption. Since the process parameters have a great influence on the energy consumption of the tissue paper machines, this study uses three methods: linear regression, artificial neural network and extreme gradient boosting tree to establish the relationship between process parameters and power consumption, and process parameters and steam consumption. Then, the best power cons... [more]
4300. LAPSE:2023.6046
Measuring and Modeling the Solubility of Hydrogen Sulfide in rFeCl3/[bmim]Cl
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: Henry’s coefficient, hydrogen sulfide, ionic liquid, reaction equilibrium constant, solubility
The solubility of hydrogen sulfide in different mole ratios of ferric chloride and 1-butyl-3-methylimidazolium chloride ionic liquid (rFeCl3/[bmim]Cl, r = 0.6, 0.8, 1.0, 1.2, 1.4) at temperatures of 303.15 to 348.15 K and pressures of 100 to 1000 kPa was determined. The total solubility increased with the increase of pressure and the decrease of temperature. The solubility data were fitted using the reaction equilibrium thermodynamic model (RETM). The mean relative error between the predicted value and the measured value was less than 4%. Henry’s coefficient and the equilibrium constant of chemical reaction at each temperature were calculated. Henry’s coefficient first decreased and then increased with the increase of mole ratio, and increased with the increase of temperature. The equilibrium constant of the chemical reaction followed the same law as Henry’s coefficient. The chemical solubility was related to both Henry’s coefficient and the chemical equilibrium constant. H2S had the h... [more]
4301. LAPSE:2023.6044
Effect of the Gas Volume Fraction on the Pressure Load of the Multiphase Pump Blade
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: IGVF, multiphase pump, numerical simulation, power capability, pressure load
The gas volume fraction (GVF) often changes from time to time in a multiphase pump, causing the power capability of the pump to be increasingly affected. In the purpose of revealing the pressure load characteristics of the multiphase pump impeller blade with the gas-liquid two-phase case, firstly, a numerical simulation which uses the SST k-ω turbulence model is verified with an experiment. Then, the computational fluid dynamics (CFD) software is employed to investigate the variation characteristics of static pressure and pressure load of the multiphase pump impeller blade under the diverse inlet gas volume fractions (IGVFs) and flow rates. The results show that the effect of IGVF on the head and hydraulic efficiency at a small flow rate is obviously less than that at design and large flow rates. The static pressure on the blade pressure side (PS) is scarcely affected by the IGVF. However, the IGVF has an evident effect on the static pressure on the impeller blade suction side (SS). Mo... [more]
4302. LAPSE:2023.6040
Estimating Breakup Frequencies in Industrial Emulsification Devices: The Challenge of Inferring Local Frequencies from Global Methods
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: breakup frequency, emulsification, fragmentation rate, high-pressure homogenizer, rotor-stator mixer, turbulent drop breakup
Experimental methods to study the breakup frequency in industrial devices are increasingly important. Since industrial production-scale devices are often inaccessible to single-drop experiments, breakup frequencies for these devices can only be studied with “global methods”; i.e., breakup frequency estimated from analyzing emulsification-experiment data. However, how much can be said about the local breakup frequencies (e.g., needed in modelling) from these global estimates? This question is discussed based on insights from a numerical validation procedure where set local frequencies are compared to global estimates. It is concluded that the global methods provide a valid estimate of local frequencies as long as the dissipation rate of turbulent kinetic energy is fairly homogenous throughout the device (although a residence-time-correction, suggested in this contribution, is needed as long as the flow is not uniform in the device). For the more realistic case of an inhomogeneous breaku... [more]
4303. LAPSE:2023.6036
Independent Validation of an In Silico Tool for a Pilot-Scale Pharmaceutical Crystallization Process Development
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: in silico modeling, pharmaceutical crystallization, pilot-scale, scale-up, uncertainty and sensitivity analysis, validation
There are many published models for predicting crystal size distribution (CSD) in the literature. However, none of them have been independently and comprehensively tested, which is important for industrial acceptance and confidence of these models. Therefore, in this study, using solubility and kinetic data from the literature, an in silico tool for predicting the crystallization process performance of a model compound system (paracetamol in ethanol) was developed and challenged by independent experiments at the 50 L pilot scale. The solute concentration was tracked, and the final CSD was quantified using three measurement techniques including a novel image analysis tool. The reported parameter uncertainties were also addressed using Monte Carlo simulations. The results showed that, when the models were used within their validity range (e.g., suspended solids), they were able to describe the observed process trends/dynamics (CSD and solute concentration) under varying experimental cond... [more]
4304. LAPSE:2023.6029
The Potential of Fibroblast Transdifferentiation to Neuron Using Hydrogels
February 23, 2023 (v1)
Subject: Modelling and Simulations
Keywords: chromatin remodeling, epigenetics, hydrogels, reprogramming, transdifferentiation
Currently there is a big drive to generate neurons from differentiated cells which would be of great benefit for regenerative medicine, tissue engineering and drug screening. Most studies used transcription factors, epigenetic reprogramming and/or chromatin remodeling drugs which might reflect incomplete reprogramming or progressive deregulation of the new program. In this review, we present a potential different method for cellular reprogramming/transdifferentiation to potentially enhance regeneration of neurons. We focus on the use of biomaterials, specifically hydrogels, to act as non-invasive tools to direct transdifferentiation, and we draw parallel with existing transcriptional and epigenetic methods. Hydrogels are attractive materials because the properties of hydrogels can be modified, and various natural and synthetic substances can be employed. Incorporation of extracellular matrix (ECM) substances and composite materials allows mechanical properties and degradation rate to b... [more]
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