Semi-empirical Model Research Articles

A semi-analytical time-domain model with explicit fluid force expressions for fluidelastic vibration of a tube array in crossflow

It is widely acknowledged that fluidelastic instability (FEI), among other mechanisms, is of the greatest concern in the flow-induced vibration (FIV) of tube bundles in steam generators and heat exchangers. A range of theoretical models have been developed for FEI analysis, and, in addition to the earliest semi-empirical Connors' model, the unsteady model, the quasi-steady model and the semi-analytical model are believed to be three advanced models predominant in the literature. The unsteady and the quasi-static models share the merits of having explicit fluid force expressions and ease of being implemented but require more experimental inputs, whereas the semi-analytical model requires fewer parameters due to its analytical nature but is hard, if not prohibitive, to derive explicit fluid force expressions. Since the fluid force formulations set in the core of development of FEI models, the understanding and in particular the implementation of the semi-analytical model has been impaired by the nonexistence of explicit fluid force expression. This issue becomes more profound in time-domain analysis whereby the simple harmonic assumption is discarded. Here we report a new semi-analytical time-domain (SATD) FEI model with explicit fluid force expressions. The new model allows a consistent frequency-domain stability analysis and more importantly a truly time-domain response analysis. The theory was validated by calculating linear stability thresholds of two typical tube array patterns and comparing against reported experimental data. We then present a nonlinear time-domain analysis of a single loosely-supported tube with piece-wise linear stiffness. The nonlinear and nonsmooth dynamics was probed in details by utilizing various techniques, playing an emphasis on characterizing and distinguishing the chaotic vibration. We found that the system follows a quasi-periodic route to chaos. Such an in-depth study of the nonlinear dynamics of tubes in crossflow has never been reported in the context of SATD model. Our results enrich the theory and provide a different approach for linear and nonlinear dynamics of tube bundles, which are essential for the subsequent fretting wear analysis.

Corrosion inhibition properties of sweet crude oil for carbon steel 1018 in NaCl solution

Abstract Aged oil pipeline production systems, historically designed without corrosion protection due to predominantly oil-wetted conditions, now face significant changes as increased water content in produced oil arises from field maturation. This work investigates the corrosion inhibition properties of sweet crude oil on carbon steel 1018 in a CO2-saturated NaCl solution using electrochemical testing (open circuit potential, polarization resistance, electrochemical impedance, potentiodynamic polarization) and surface characterization (SEM, EDS) techniques at 50 °C and pH 6. Carbon steel specimens were immersed in crude oil for durations ranging from 0 to 144 h before undergoing corrosion testing. Results showed that a 144-h immersion in crude oil led to an 88 % reduction in corrosion rate, comparable to the efficiency of standard quaternary ammonium-based inhibitors. Furthermore, a semi-empirical model predicting uniform CO2 corrosion rates for varying oil immersion durations is proposed and validated by comparing its predictions with experimental data from the electrochemical tests.

The impact of environmental variables on surface Conductance: Advancing simulation with a nonlinear Machine learning model

Surface conductance (Gs) is a key factor in the Penman-Monteith (PM) equation; the interaction between environmental variables such as CO2 concentration, air temperature (TA), vapor pressure deficit (VPD), soil water content (SWC), and net radiation (R) affects Gs, evapotranspiration and thus impacts the hydrological cycle. These interactions are highly nonlinear and vary among different vegetation types. However, conventional Gs simulation models use fixed interactions between environmental variables in their equations for all vegetation types. Moreover, the characterisation and parameterisation of conventional Gs models is highly uncertain due to the high spatiotemporal variability in key environmental variables and plant parameters, which inhibits their generalisation. This study investigates whether Gs could be estimated more accurately by nonlinear statistical techniques that capture the multiple interactions between the environmental variables that affect Gs for each vegetation type. We compare mixed generalized additive model (MGAM) for Gs simulation with semi-empirical and empirical models at 20 eddy covariance flux tower sites with four different vegetation types at daily and monthly timescales. The results show that the Nash-Sutcliffe Efficiency (NSE) in Gs simulation increased by up to 50% in MGAM model in comparison to the semi-empirical and empirical models. The MGAM model highlighted the interactive effects of CO2, VPD, and SWC for crops and grasses. The interactive effects of CO2, VPD, and TA were important for trees and grasses. The results from this study expand our understanding of the ability of Gs simulation models to identify and include the interactive effects of crucial environmental variables on plant transpiration and hydrological processes.

Predictive thermodynamic model for solvent extraction of Iron(III) by tri-n-butyl phosphate (TBP) from chloride media

Hydrometallurgical processes are crucial to reducing the environmental impact of metal recovery, yet dealing with iron impurities is a major challenge. This paper presents a semi-empirical predictive thermodynamic model for iron removal from chloride media by solvent extraction with tri-n-butyl phosphate (TBP). This model is built upon the OLI mixed-solvent electrolyte framework (OLI-MSE). It goes beyond traditional thermodynamic models by incorporating the non-ideality of both the aqueous and organic phases in a single, chemistry-based thermodynamic model. On top of the OLI-MSE framework lies the chemical model that depicts the extraction of Fe(III) by forming an ion pair between the FeCl4– anion and protonated TBP (TBPH+) in the organic phase. The iron(III)-containing ion pair in the organic phase is further stabilized by interactions with neutral TBP molecules. Developing the model required modeling the Fe(III) – chloride chemistry in the aqueous phase, optimizing the HCl extraction model, and fitting the parameters between FeCl4–, TBPH+, and TBP to experimental solvent extraction data. The resulting thermodynamic model can predict the solvent extraction of iron(III) from complex feed solutions by TBP in aliphatic diluents at all concentrations up to undiluted TBP. It can be used to calculate the equilibrium energies and composition, and the species present at equilibrium.

Novel Compounds Design of Acertannin, Hamamelitannin, and Petunidin-3-Glucoside Typical Compounds of African Leaves (Vernonia amygdalina Del) as Antibacterial Based on QSAR and Molecular Docking

Antibacterial secondary metabolites such as tannins and their derivatives are found in the Vernonia amygdalina Del. Antibiotic resistance can develop due to overuse, reducing the efficacy of drugs to prevent and treat infections. This research aims to use the Quantitative Structure-Activity Relationship (QSAR) and the semi-empirical method Austin Model 1 (AM1) to design a modified novel compound from African leaves that has improved antibacterial activity. This research includes a descriptor calculation of QSAR using AM1 MOE on typical compounds from African leaves, and calculation results are chosen based on a multilinear regression statistical analysis. The model equation represents the three primary parameters of QSAR, which are electronic, hydrophobic, and steric parameters, which will be used to measure modified compounds. Molecular docking using Autodock Tools (The Scripps Research Institute, USA), and analysis of results of docking Autodock Tools using Discovery Studio 3.5 Client. The best QSAR model obtained is LogEC50 = (0.829 x LogP) - (1,302 x AM1_HOMO) - (0.339 x AM1_dipole) - (5,128 x mr) + (0.145 x vol) - (11,355). The results showed that EC50 prediction of modified hamamelitannin has the best activity with the lowest ΔGbind -9.0 kcal/mol and inhibition constant of 0.249 μM. In summary, the novel compound's design calculation has better antibacterial activity, as indicated by a lower EC50, than fosfomycin or compounds without modification. The modified hamamelitannin compound was found to have better antibacterial activity (prediction EC50 = 0.1933 μM) than the original (experimental EC50 = 145.50 μM).

Development of a diafiltration-nanofiltration-reverse osmosis (DiaNF-RO) process for ion fractionation towards resource recovery in seawater desalination

A diafiltration-nanofiltration-reverse osmosis (DiaNF-RO) process is introduced to achieve solutes fractionation of divalent/monovalent ions, i.e., Mg/Na, to enable resource recovery in seawater desalination and brine management. The diafiltration process is applied at the NF stage (i.e., DiaNF) to enhance the Mg/Na fractionation performance of NF (i.e., SF1Mg-Na), while the RO is incorporated to produce desalinated water as well as diluent required by the DiaNF. By initiating the ion fractionation at the pre-treatment rather than post-treatment (i.e., RO-NF), the DiaNF-RO mitigates challenges of high concentration in RO brine management, which includes limitation of maximum allowable operating pressure and high energy requirement. The semi-empirical model, with at least 77.4 % accuracy, is first applied to simulate the performance of DiaNF-RO at different operating conditions and configurations (i.e., multi-stage and recycling). The sensitivity analysis then suggests that dilution should only occur in the last NF stage and without any retentate recycling, while NF pressure and element number should be optimized. Using NF membrane with SFMg-Na of 1.28 at 10 bar and feed seawater of 35 g/L TDS, the optimal 4-stage DiaNF-RO design achieves maximum SF1Mg-Na of 12.19 at 5.72 kWh/m3, or a minimum energy consumption of 5.41 kWh/m3 at SF1Mg-Na of 7.04.

Flexible bidirectional pulse charging regulation achieving long-life lithium-ion batteries

Typical application scenarios, such as vehicle to grid (V2G) and frequency regulation, have imposed significant long-life demands on lithium-ion batteries. Herein, we propose an advanced battery life-extension method employing bidirectional pulse charging (BPC) strategy. Unlike traditional constant current charging methods, BPC strategy not only achieves comparable charging speeds but also facilitates V2G frequency regulation simultaneously. It significantly enhances battery cycle ampere-hour throughput and demonstrates remarkable life extension capabilities. For this interesting conclusion, adopting model identification and postmortem characterization to reveal the life regulation mechanism of BPC: it mitigates battery capacity loss attributed to loss of lithium-ion inventory (LLI) in graphite anodes by intermittently regulating the overall battery voltage and anode potential using a negative charging current. Then, from the perspective of internal side reaction, the life extension mechanism is further revealed as inhibition of solid electrolyte interphase (SEI) and lithium dendrite growth by regulating voltage with a bidirectional pulse current, and a semi-empirical life degradation model combining SEI and lithium dendrite growth is developed for BPC scenarios health management, the model parameters are identified by genetic algorithm with the life simulation exhibiting an accuracy exceeding 99%. This finding indicates that under typical rate conditions, adaptable BPC strategies can extend the service life of LFP battery by approximately 123%. Consequently, the developed advanced BPC strategy offers innovative perspectives and insights for the development of long-life battery applications in the future.

Detection of Rydberg Lines from the Atmosphere of Betelgeuse

Emission lines from Rydberg transitions are detected for the first time from a region close to the surface of Betelgeuse. The H30α line is observed at 231.905 GHz, with an FWHM ∼42 km s−1 and extended wings. A second line at 232.025 GHz (FWHM ∼21 km s−1 ), is modeled as a combination of Rydberg transitions of abundant low first ionization potential metals. Both H30α and the Rydberg combined line X30α are fitted by Voigt profiles, and collisional broadening with electrons may be partly responsible for the Lorentzian contribution, indicating electron densities of a few 108 cm−3. X30α is located in a relatively smooth ring at a projected radius of 0.9× the optical photospheric radius R ⋆, whereas H30α is more clumpy, reaching a peak at ∼1.4 R ⋆. We use a semiempirical thermodynamic atmospheric model of Betelgeuse to compute the 232 GHz (1.29 mm) continuum and line profiles making simple assumptions. Photoionized abundant metals dominate the electron density, and the predicted surface of continuum optical depth unity at 232 GHz occurs at ∼1.3 R ⋆, in good agreement with observations. Assuming a Saha–Boltzmann distribution for the level populations of Mg, Si, and Fe, the model predicts that the X30α emission arises in a region of radially increasing temperature and turbulence. Inclusion of ionized C and non-LTE effects could modify the integrated fluxes and location of emission. These simulations confirm the identity of the Rydberg transition lines observed toward Betelgeuse and reveal that such diagnostics can improve future atmospheric models.

Study of Resistance Extraction Methods for Proton Exchange Membrane Fuel Cells Based on Static Resistance Correction

Accurate extraction of polarization resistance is crucial in the application of proton exchange membrane fuel cells. It is generally assumed that the steady-state resistance obtained from the polarization curve model is equivalent to the AC impedance obtained from the electrochemical impedance spectroscopy (EIS) when the frequency approaches zero. However, due to the low-frequency stability and nonlinearity issues of the EIS method, this dynamic process leads to an additional rise in polarization resistance compared to the steady-state method. In this paper, a semi-empirical model and equivalent circuit models are developed to extract the steady-state and dynamic polarization resistances, respectively, while a static internal resistance correction method is proposed to represent the systematic error between the two. With the correction, the root mean square error of the steady-state resistance relative to the dynamic polarization resistance decreases from 26.12% to 7.42%, indicating that the weighted sum of the static internal resistance and the steady-state resistance can better correspond to the dynamic polarization resistance. The correction method can also simplify the EIS procedure by directly generating an estimate of the dynamic polarization resistance in the full current interval.

An Electrochemical-Thermal Coupling Model Based on Two-Factor Parameter Modification for Lithium-Ion Battery

Abstract The accurate establishment of battery model can improve the design reliability and reduce the design risk, which provides an important basis for the research of battery. First, the key parameters of the Li-ion battery model are identified by the least square method based on the full-battery equivalent circuit model of the single-particle impedance spectrum, and the diffusion coefficient and exchange current density under different temperatures and SOC conditions are calculated. At the same time, the one-dimensional thermal rate model is used as the heat source of the three-dimensional model, and the mean temperature T of the three-dimensional model is calculated by using Fourier's law, and T is fed back to the one-dimensional model as the key parameter to modify the conductivity, diffusion coefficient, and exchange current density, and a semi-empirical electrochemical-thermal coupling model with two-factor parameter modification is established. Finally, the model is verified by the temperature field distribution and discharge voltage curve at different discharge rates. The maximum temperature difference is less than 3.1 °C, and the maximum voltage difference error is less than 0.131 V. The results show that the improved model can accurately reflect the influence of temperature on the model parameters, and has high accuracy in the estimation of battery terminal voltage and SOC.

Experimental study and semi-empirical model of a thermostatic expansion valve of a R290 direct-expansion solar heat pump

The expansion device plays a crucial role in the operation of heat pumps and refrigeration systems, making its study integral to advancements in the fields of refrigeration and heating. Among various expansion devices, the Thermostatic Expansion Valve (TEV) stands out due to its rapid response time and mechanical nature, which grants it high control capacity over refrigerant superheating. In this study, was developed a semiempirical mathematical model for a TEV incorporated in a DX-SAHP utilizing R290. The research was carried out in an experimental way, conducted using a fully instrumented DX-SAHP. A series of experiments tested different operational modes for water heating, subject to varying solar radiation intensities. A uniform methodology collected operational parameters, resulting in 150 experiments. The semiempirical model creation involved combining basic equations from the literature describing TEV operation and formulating an equation using multiple linear regression based on experimentally evaluated parameters. These parameters included solar radiation incidence, inlet and outlet pressures, and superheating degree. The regression model achieved an adjustment higher than 96 %. Combining this regression with equations suggested by previous researchers, resulted in a model with an adjustment exceeding 94 %. Furthermore, this study culminated in the derivation of a generalized model primed for broad application across various heat pump configurations for water heating purposes. Notably, the model underwent rigorous validation across a separate set of experiments, reaffirming its reliability and versatility. While excelling in steady-state operations, the model's transient data analysis falls short, as intended.

Numerical investigation of crack propagation regimes in snow fracture experiments

A snow slab avalanche releases after failure initiation and crack propagation in a highly porous weak snow layer buried below a cohesive slab. While our knowledge of crack propagation during avalanche formation has greatly improved over the last decades, it still remains unclear how snow mechanical properties affect the dynamics of crack propagation. This is partly due to a lack of non-invasive measurement methods to investigate the micro-mechanical aspects of the process. Using a DEM model, we therefore analyzed the influence of snow cover properties on the dynamics of crack propagation in weak snowpack layers. By focusing on the steady-state crack speed, our results showed two distinct fracture process regimes that depend on slope angle, leading to very different crack propagation speeds. For long experiments on level terrain, weak layer fracture is mainly driven by compressive stresses. Steady-state crack speed mainly depends on slab and weak layer elastic moduli as well as weak layer strength. We suggest a semi-empirical model to predict crack speed, which can be up to 0.6 times the slab shear wave speed. For long experiments on steep slopes, a supershear regime appeared, where the crack propagation speed reached approximately 1.6 times the slab shear wave speed. A detailed micro-mechanical analysis of stresses revealed a fracture principally driven by shear. Overall, our findings provide new insight into the micro-mechanics of dynamic crack propagation in snow, and how these are linked to snow cover properties.Graphical

Liquid mass gauging during propellant transfer in microgravity

Advancing the precision of low-gravity liquid propellant mass gauging is a roadmap challenge for NASA and a significant obstacle to expanding human presence in space. We report flight test data for an implementation of a low-gravity liquid propellant mass gauging technology that is both non-invasive and propellant agnostic. The TRIO payload experiment flew twice on the Blue Origin New Shepard suborbital rocket and validated computational models of liquid distribution in microgravity at three different fill levels. The Propellant Refueling and On-orbit Transfer Operations (PROTO) payload experiment also flew twice on New Shepard and acquired mass gauging data before, during, and after a tank drain and fill that simulated in-space propellant transfers. Propellant volume estimates were derived at 1 Hz using the Modal Propellant Gauging (MPG) system. Analytical, semi-empirical, and finite element (FE) model results for predicted mode frequencies are compared to flight data for mode frequencies across a range of fill levels during the simulated propellant transfer. Flight (0-g), ground (1-g) and FEM mode frequencies for both 0- and 1-g are well-predicted by the semi-empirical models for frequency dependence on tank fill level.

LattSAC: a software for the acoustic modelling of lattice sound absorbers

ABSTRACT The increasingly distressing problem of noise pollution prompts the rapid research and development of lattice-based acoustic materials for practical applications. These lattices boast excellent mechanical properties and unlimited design freedom made possible using additive manufacturing technologies. Currently, there is a lack of analytical mathematical models relating the lattice geometry to the acoustic models and the absence of software dedicated to the acoustic modelling of strut lattice-based sound absorbers. This work presents LattSAC, an acoustics calculator that takes in all the geometrical parameters of the lattice structure and outputs directly the sound absorption coefficients (SAC) and their statistics. Hidden within the code is the novel Multi-layered Micropore-Cavity (MMC) model with semi-empirical mathematical models well-trained using experimental data to output the SACs with excellent accuracies. This software aims to accelerate the research and development of lattice-based acoustic absorbers for actual applications. It also functions as a valuable tool for users looking to design sound-absorbing materials using lattice structures. The software installer may be downloaded for free from the following GitHub repository: https://github.com/JunWeiChua/LattSAC. If there are any suggestions or contributions, the user may write to zhaiweigroup@gmail.com.

On the application of acoustic liners for the reduction of jet-flap installation noise

In this work, an experimental and numerical analysis of the feasibility of using acoustic liners to reduce the acoustic far-field radiation of a subsonic jet near a flat plate is presented. The Boundary Element Method (BEM) with a wavepacket model of the jet noise and considering an acoustic impedance boundary condition was used to calculate the far-field noise for different conditions. A parametric optimization was performed in order to find an optimum impedance in terms of the Overall Sound Pressure Level reduction. Semi-empirical models of acoustic liners were then used to design a liner with an impedance as close as possible to the optimum impedance. The liners were built using additive manufacturing and tested in terms of their acoustic impedance and the resulting noise reduction when applied to a region of the flat plate. The BEM simulations, considering the impedance, showed good agreement with experimental data. Overall, by means of the BEM model, optimization and liner semi-empirical models, it was possible to design an acoustic liner which significantly reduced the installation noise at the far-field, with the overall noise reduction between 2 dB to 4 dB depending on observation angle.

Flipping: A Valve-Free Strategy to Control Fluid Flow in Centrifugal Microfluidic Systems

Centrifugal microfluidics has emerged as a technology to automate fluid handling at the microliter scale in bioassays. It has been mostly developed for point-of-care diagnostic applications, where assays involve a well-defined workflow. By contrast, this study introduces a microfluidic strategy that allows multiple workflows within the same device, thereby addressing the requirements of sample preparation steps in R&D settings. The corresponding device is a microfluidic chip that can be inserted either in a lab-on-a-disk or in the swinging-bucket of a commercial centrifuge. The control of liquid transfers from one chamber to the next is achieved by flipping the chip, thereby reorienting it in the centrifugal force field. The present experimental study describes the fluid instability that triggers the transfer upon flipping. A semi-empirical physical model is developed that predicts the acceleration threshold of the instability as a function of design parameters. By contrast to most existing control strategies in centrifugal microfluidics, the present strategy does not involve any valve. Consequently, it is robust to variations of material and sample properties, and it yields minimal fabrication constraints. Designing appropriately sized chambers enables flexible implementation of complex workflows. This strategy brings the miniaturization benefits of centrifugal microfluidics to sample preparation workflows.

Assessment and Optimization of Dynamic Stall Semi-empirical Model for Pitching Aerofoils

Assessment and Optimization of Dynamic Stall Semi-empirical Model for Pitching Aerofoils

Semi-empirical model for abrasive particle velocity prediction in abrasive waterjet based on momentum transfer efficiency

AbstractAbrasive waterjet (AWJ) is a technology that removes a target material with an abrasive accelerated by ultra-high-pressure water. Recently, its application for rock excavations in civil and geotechnical engineering has increased. AWJ excavation performance is affected by the abrasive velocity formed by momentum transfer during mixing and acceleration. The abrasive velocity varies owing to changes in the abrasive flow rate, focusing tube diameter, and focusing tube length. In this study, the momentum transfer efficiency (MTE) according to the abrasive flow rate and focusing tube geometry was investigated by a numerical analysis to better understand the multiphase flow inside the AWJ system. The MTE was defined based on the theoretical relationship between the abrasive velocity ratio and focusing tube factor, and evaluated through the empirical relationship between the water stiffness and focusing tube length. The optimal abrasive flow rate for generating efficient MTE was approximately 15 g/s, which enabled economical and effective acceleration of abrasive particles. Accordingly, a prediction model based on the derived MTE was developed for the final abrasive velocity generated at the tip of the focusing tube. Using the prediction model, it is possible to evaluate the comprehensive relationship between various AWJ parameters. Based on the prediction model, the abrasive–water flow ratio to generate the optimal abrasive velocity was 0.83. The developed prediction model provides guidelines for selecting the optimal focusing tube geometry and applying an economical abrasive flow rate when designing an AWJ system.

One-dimensional, geometrically stratified semi-empirical models of the quiet-Sun photosphere and lower chromosphere

One-dimensional, semi-empirical models of the solar atmosphere are widely employed in numerous contexts within solar physics, ranging from the determination of element abundances and atomic parameters to studies of the solar irradiance and from Stokes inversions to coronal extrapolations. These models provide the physical parameters (i.e. temperature, gas pressure, etc.) in the solar atmosphere as a function of the continuum optical depth $ c $. The transformation to the geometrical $z$ scale (i.e. vertical coordinate) is provided via vertical hydrostatic equilibrium. Our aim is to provide updated, one-dimensional, semi-empirical models of the solar atmosphere as a function of $z,$ but employing the more general case of three-dimensional magneto-hydrostatic equilibrium (MHS) instead of vertical hydrostatic equilibrium (HE). We employed a recently developed Stokes inversion code that, along with non-local thermodynamic equilibrium effects, considers MHS instead of HE. This code is applied to spatially and temporally resolved spectropolarimetric observations of the quiet Sun obtained with the CRISP instrument attached to the Swedish Solar Telescope. We provide average models for granules, intergranules, dark magnetic elements, and overall quiet-Sun as a function of both $ c $ and $z$ from the photosphere to the lower chromosphere. We demonstrate that, in these quiet-Sun models, the effect of considering MHS instead of HE is negligible. However, employing MHS increases the consistency of the inversion results before averaging. We surmise that in regions with stronger magnetic fields (i.e. pores, sunspots, network) the benefits of employing the magneto-hydrostatic approximation will be much more palpable.

Atomic number estimation of dual energy cargo radiographs using a semiempirical transparency model

Dual energy cargo inspection systems are sensitive to both the area density and the atomic number of an imaged container due to the Z dependence of photon attenuation. The ability to identify cargo contents by their atomic number enables improved detection capabilities of illicit materials. This work introduces a novel method for atomic number reconstruction by minimizing the chi-squared error between measured transparency values and a semiempirical transparency model. This method is tested using two Geant4 Monte Carlo simulated radiographic phantoms, demonstrating the ability to obtain accurate material predictions on noisy input images, even in the presence of shielding. Furthermore, we provide a simple procedure for porting this method to a commercial system, requiring an approximate model of the scanner’s beam spectra and detector response, along with only three calibration measurements.