Fitted Parameter Values Research Articles

Experimental and numerical study of cadmium fate and transport mechanisms during artificial recharge in agricultural regions

Agricultural Managed Aquifer Recharge (AgMAR) uses agricultural lands and floodwater to enhance groundwater recharge, but its effectiveness can be hindered by heavy metals like cadmium (Cd), which pose risks to groundwater quality. Cd is particularly concerning due to its high mobility and persistence in the environment. This study investigates Cd's fate and transport in agricultural regions during MAR, focusing on sandy loam soils through batch and column experiments. Equilibrium and kinetic batch studies were conducted under varying Cd concentrations and exposure times to quantify the adsorption capacity and rate. HYDRUS-2D was used to simulate Cd's transport in soil under various ponding depths and Cd concentrations. Results showed a maximum Cd adsorption capacity of 439.58 mg/kg, with the Freundlich isotherm providing a better fit (R2 = 0.98) and indicating heterogeneous adsorption sites (n = 0.389). The kinetic experiment indicated chemisorption as the predominant mechanism, with an equilibrium adsorption capacity of 236.49 mg/kg. The pseudo-second-order kinetic model (rate constant 0.0016 h⁻1, R2 = 0.99) suggested that adsorption kinetics are influenced by Cd concentration and available adsorption sites. The column experimental findings supported by HYDRUS-2D modeling successfully explained the fate and transport of Cd within the soil columns. The model fitted parameter values for Freundlich adsorption isotherm coefficient (KF), linearity factor (Nu), and kinetic rate coefficient are (α) 47.37 L/kg, 0.00389 cm³/ppm and 0.0029 min⁻1, respectively. Modeling scenarios further elucidated the transport dynamics of Cd under simulated AgMAR conditions. Modeling scenarios indicated that with constant ponding of 5 cm over a year, Cd at 20 and 40 ppb concentrations in floodwater could potentially migrate below root zone systems. This study highlights the critical role of understanding Cd fate and transport in optimizing AgMAR systems and reducing Cd pollution risks, providing valuable insights for developing effective monitoring and management strategies.

The dynamics of hybrid-immune and immunodeficient susceptible individuals and the three stages of COVID-19 vaccination

The World Health Organization has disclosed that the hybrid-immune and immunodeficient individuals are two distinct classes of individuals susceptible to the COVID-19 virus. To model this unique characteristics of two distinct categories of susceptible individuals and the dynamics of the three phases of a vaccination program implemented by the World Health Organization in Malaysia, which have not been accounted for in previous studies, a twelve compartmental SSVEIHQR-D epidemiological model was developed. This model aimed to accurately capture the spread of the COVID-19 virus by fitting real-life data to the model and obtaining updated estimates of the reproduction number. The study also focused on assessing current control measures and exploring strategies to eradicate the virus and mitigate future outbreaks. Mathematical analyses of the model included investigations into stability, equilibrium points, the basic reproduction number R0, optimal control strategies, and sensitivity analyses. Estimation and fitting of the model parameters were conducted using daily situation reports from the Ministry of Health of Malaysia. The obtained value of the basic reproduction number, based on fitted parameter values, indicated stability and reflected the current pandemic situation more realistically. Additionally, the herd immunity threshold was calculated and interpreted in the context of the study findings. Finally, practical insights and recommendations derived from the model’s results were provided to inform government agencies, public health organizations, and intervention bodies, aimed at controlling the spread of the COVID-19 virus.

Flexible resistive memory device with egg-albumen/HfO x hybrid bilayer: fabrication and modeling of its switching variations

Egg-albumen, a natural polymer, in bilayer combination with ultrathin HfO x is explored as an active switching layer component in flexible resistive random access memory devices. The fabricated devices have shown excellent switching characteristics with a current on/off ratio of greater than 104, stable retention of both low resistance and high resistance states, reliable multiple cycle switching, and very low switching power (with set power as 0.5 µW and reset power as 3.1 mW). To investigate the electro-mechanical stability, devices were bent with different bending radii and it was found that negligible degradation in device performance was observed until a 5 mm bending radius. Furthermore, a simple mathematical model is used to simulate the devices’ characteristics and the values of fitting parameters were extracted with a root mean square error of less than 4.5%. Moreover, a switching variation was introduced by utilizing variations of the physical parameters, and a near practical physics based mathematical device model was demonstrated which can enable the strengthening of simulation capabilities for exploration of unique flexible resistive memory devices and related circuits.

Study of electromagnetic damping of an oscillating bar magnet and its energy budget

The oscillation of a bar magnet along the axis of a closed loop solenoid has been studied quantitatively using an ultrasonic sensor and Arduino microcontroller-based platform. Real-time displacement of the oscillatory magnet with and without the solenoid shows an additional damping effect due to electromagnetic induction in the presence of the closed-loop solenoid. Variation of the induced current in the solenoid circuit has been analyzed over several cycles by simultaneous recording of the voltage developed across two resistors using ‘analogread’ library function. Energy drained from the oscillator due to electromagnetic damping has been compared with the energy lost in Joule heating of the solenoid circuit. A phase plot for the underdamped oscillator was generated using the fitting parameter values of the curve fitted with the position vs. time data points on the plot. This portable and inexpensive microcontroller-based design is well suited for STEM education of high school and for sophomores in an undergraduate physics course.

Testing new kinetic models and calibration methods for Rock Surface Luminescence Exposure dating using controlled experiments

Rock surface luminescence exposure dating (RSLED) is an evolving tool in dating prehistoric rock surfaces. In this study, we explore and compare current and new models and calibration methods using optically stimulated luminescence (OSL) depth profiles from quartz grains and Infrared Stimulated Luminescence (IRSL; IR50, pIRIR225, and MET290) from feldspar grains found in granite and sandstone samples.This study shows that, although correct model assumptions improve the quality of exposure age estimates, significant discrepancies between observed and expected fitting parameter values remain, and these discrepancies leads to inaccurate age estimation. This is particularly the case when post-IR signals from feldspar are used. Here, the spectral dependency of luminescence signals is examined to better understand these problems. The demonstrated depth dependency of fitting parameters, previously assumed to be constant with depth, also gives rise to discrepancies in parameter values. The surprising observation that, in rocks, the IR50 signal is apparently more easily bleached than the quartz fast-component OSL signal is explained in terms of the wavelength dependence of light attenuation increasing the effective path length for shorter wavelengths, and so changing the shape of the light spectrum with penetration depth. This complicates parameter estimates in exposure dating even more.Alternative approaches (rather than parameter estimation) for estimating how long a rock surface has been exposed to light are considered, based on modelling the shape and position of the measured luminescence-depth profile. It is concluded that the most accurate exposure age is derived by interpolating the depth of an unknown profile onto a curve of profile depths from known age profiles (the Exposure Response Curve, or ERC, approach).

A kinetic model for porosity evaluation in Fe(0) mixed material-based sequential groundwater remediation

In aquifer systems, particularly those characterized by homogeneity in the shallow layers, the even distribution of contaminants, such as solutes, solvents, and reductive agents or substrates is frequently impeded. Consequently, this complicates the accurate delineation homogeneity within the groundwater matrix, which is a crucial aspect for the effective subsurface treatment of contaminants. In this study, columnar assays were conducted using acid-activated zero-valent iron [Fe(0), ZVI] emulated in situ remediation across disparate iron-to-sand weight ratios. To decipher the interaction between porosity and solute migration, a mass transfer-centric model was developed to provide quantitative insights during heterogeneous groundwater interventions. The results revealed that nitrate attenuation by Fe(0) rigorously adheres to a first-order kinetic paradigm. The efficiency porosity (n̅) during non-equilibrium (rate-limited) conditions can be calculated under different NO3− concentrations and Fe(0)/sand ratios. This analysis predicts that large porosity and preferential flow will occur in the Fe(0)50/% and Fe(0)25/% columns. The optimal parameters were determined as a mixing ratio of Fe(0)/sand of 0.5/0.5 (volume) and an HRT of 7.3 h when the influent NO3−-N concentration ranged from 20 mg·L−1 to 100 mg·L−1, resulting in enhanced nitrate removal efficiency. A positive correlation was observed between K (a mass-transfer rate coefficient) and Fe(0)/sand ratio. Using a power-law function to fit A [the value of fitting parameter] and the Fe(0)/sand ratio, a positive correlation was calculated that closely resembles the trend observed in lab columns. This model subsequently facilitated the calibration of operational variables, optimizing the in situ amelioration of nitrate-laden groundwater.

Coupling covariance matrix adaptation with continuum modeling for determination of kinetic parameters associated with electrochemical CO2 reduction

Coupling covariance matrix adaptation with continuum modeling for determination of kinetic parameters associated with electrochemical CO2 reduction

Coupled flow and transport modelling of a large-scale in situ migration experiment with 14 C-labelled natural organic matter colloids in Boom Clay

Abstract Twenty-five years ago, a unique long-term and large-scale in situ experiment with 14 C-labelled natural organic matter (NOM) was set up at the HADES underground research facility in Mol (Belgium) to study its migration behaviour. Natural organic matter plays an important role in the mobility of various safety-relevant radionuclides, which is critical in the context of Safety & Performance Assessment (SA/PA) calculations for a possible nuclear waste repository. The objective of this work is to enlarge the confidence in current NOM transport models by validating them with the in situ experiment, which is still continued to this day. Stepwise adding more complexity to the model resulted in a 10-parameter model with which excellent fits to the data are obtained. The model considers two different fractions that are transported by advection and diffusion and can be subject to both irreversible and reversible immobilization processes. The associated fitted parameter values compare well with values determined on small-scale migration experiments. This builds confidence in the NOM transport model, which in turn contributes to the confidence in the outcome of the radionuclide migration calculations performed in the context of SA/PA. These results again highlight the incredible value of such long-running experiments at underground research facilities like HADES.

Linking Experimental and Theoretical Studies of CO2 Binding for Insight into the Structure of Activated Carbon

Five different physically motivated analytic isotherm models are fit to experimental [Formula: see text] data from seven different sources reporting studies of the adsorption of CO2 by activated carbon. The model behavior upon parameter optimization suggests that multi-layer adsorption does not play a dominant role in CO2 uptake by activated carbon. Only by explicitly modeling two distinct types of binding sites in the first adsorption layer does the model fully capture the nuances of the data. The values of the best-fit parameters provide good support for a widely used structural model of activated carbon: that it may be represented by nanoscopic flakes of hexagonally bonded carbon, the edges of which are terminated by functional groups. This conclusion is confirmed by comparison of the fitting parameter values to published results of first-principles calculations of the interaction of CO2 with systems having chemical features representative of this structural model.

ESTIMATING THE MOSQUITO DENSITY IN GUANGZHOU CITY, CHINA

Mosquito is a vector of many diseases. Predicting the trend of mosquito density is important for early warning and control of mosquito diseases. In this paper, we fit a discrete time mosquito model developed by Gong et al. in 2011, which considers the immature and adult stages, and weather dependent model parameters, to the Breteau Index and Bite Index data for Aedes aegypti in Guangzhou city, China in 2014, as well as the weather data for average temperature, precipitation, evaporation and daylight for the same period. We estimated the model parameters using the Markov Chain Monte-Carlo (MCMC) method. We find that many parameters are not identifiable. We revise and simplify the model so that the parameters of our new model are identifiable. Our results indicate that the model predicted mosquito prevalence agrees well with data. We then use the fitted parameter values against the Breteau Index and Bite Index data for Guangzhou city in 2017 and 2018, and show that the estimated parameter values are applicable for other seasons.

A Critical Review of the Removal of Radionuclides from Wastewater Employing Activated Carbon as an Adsorbent.

Radionuclide-contaminated water is carcinogenic and poses numerous severe health risks and environmental dangers. The activated carbon (AC)-based adsorption technique has great potential for treating radionuclide-contaminated water due to its simple design, high efficiency, wide pH range, quickness, low cost and environmental friendliness. This critical review first provides a brief overview of the concerned radionuclides with their associated health hazards as well as different removal techniques and their efficacy of removing them. Following this overview, this study summarizes the surface characteristics and adsorption capabilities of AC derived from different biomass precursors. It compares the adsorption performance of AC to other adsorbents, such as zeolite, graphene, carbon nano-tubes and metal-organic frameworks. Furthermore, this study highlights the different factors that influence the physical characteristics of AC and adsorption capacity, including contact time, solution pH, initial concentration of radionuclides, the initial dosage of the adsorbent, and adsorption temperature. The theoretical models of adsorption isotherm and kinetics, along with their fitting parameter values for AC/radionuclide pairs, are also reviewed. Finally, the modification procedures of pristine AC, factors determining AC characteristics and the impact of modifying agents on the adsorption ability of AC are elucidated in this study; therefore, further research and development can be promoted for designing a highly efficient and practical adsorption-based radionuclide removal system.

A study on carbon dioxide solubility in the deep eutectic solvent (1 sodium bromide + 6 ethylene glycol): Experimental and modeling by the SRK and CPA EoS

In this study, carbon dioxide solubilities were measured experimentally in the DES composed of 1 NaBr + 6 ethylene glycol at temperatures ranging from 293.2 to 323.2 K and pressures up to 37 bars. The minimum and maximum measured CO2 solubilities (in mole fraction) within the investigated temperature and pressure ranges were 0.0013 and 0.0526, respectively. The measured data were then used to optimize the values of fitting parameters of the Cubic Plus Association, and the Soave–Redlich–Kwong EoSs equations of state. The AARD% values of 3.37 % and 2.52 % for SRK and CPA EoSs, respectively, showed reliable results for both models. However, the SRK EoS could estimate accurate carbon dioxide solubilities only by much larger binary interaction parameters, as compared to the CPA EoS. Also, using the measured data, the values of Henry’s constant, standard enthalpy, standard entropy, and standard Gibbs free energy of dissolution were calculated according to thermodynamic relations. The stronger interactions in the mixture of carbon dioxide with DES by the establishment of new intermolecular bonds (as compared to the pure DES), leads to the liberating of energy upon dissolution. This also results in less disorder and chaos as indicated by analyzing the above-mentioned thermodynamic properties.

Cross-cultural adaptation and validation of the Chinese version of the loneliness scale for older adults

Loneliness is emerging as a public health problem. Due to the social and emotional attributes of loneliness, there is a lack of multidimensional-related research and an effective scale with which to evaluate the loneliness of older adults in China. We intend to translate and psychometrically validate the Chinese version of the loneliness scale for older adults (C-LSOA). A cross-sectional study was conducted with a sample of 415 older adults in Huzhou, China. Content validity, construct validity, concurrent validity, and reliability were used to assess the scale's psychometric properties. Exploratory factor analysis of the C-LSOA extracted five common factors, and confirmatory factor analysis fit well. The model fit parameter values were X2/df = 2.060, CFI = 0.912, TLI = 0.902, RMSEA = 0.064, and SRMR = 0.060. The scale's content validity index was 0.93. The Cronbach's α for the total scale was 0.868, and the test-retest result was 0.854. The correlation between the C-LSOA and UCLA was 0.886, with good concurrent validity. The results indicated that the C-LSOA could be used to measure the loneliness of older adults in Chinese communities.

A Wearable Capsule Endoscope Electromagnetic Localization System Based on a Novel WCL Algorithm.

The wearable localization system for wireless capsule endoscopy (WCE) is a potential technology to realize rapid diagnosis and treatment of the gastrointestinal (GI). However, the electromagnetic localization accuracy of WCE still needs to be improved. In this paper, based on RSSI electromagnetic fading model, the accurate fitting parameter values are obtained by Kalman filter and the least square method. A novel weighted centroid localization (WCL) algorithm based on exponential weights is proposed, which can achieve high-accuracy localization by using only sparse reception matrix. The simulation results show that when the standard deviation of the localization data is 7.85, the localization root mean square error (RMSE) is 25.4 mm; when the standard deviation of the localization data is 5.475, the localization RMSE is 2.5 mm. These two localization RMSEs are 38% and 79% less than those of the conventional centroid localization algorithm, respectively. An experimental platform of wearable wireless communication and localization system using 24 array receiving antennas is developed in human phantom environment. The experimental results show that the wearable WCE electromagnetic localization system based on the proposed algorithm achieves a localization RMSE of 36.3 mm, which is 17% lower than that of the conventional centroid localization algorithm and meets the needs of clinical diagnosis.

Utility of constraints reflecting system stability on analyses for biological models.

Simulating complex biological models consisting of multiple ordinary differential equations can aid in the prediction of the pharmacological/biological responses; however, they are often hampered by the availability of reliable kinetic parameters. In the present study, we aimed to discover the properties of behaviors without determining an optimal combination of kinetic parameter values (parameter set). The key idea was to collect as many parameter sets as possible. Given that many systems are biologically stable and resilient (BSR), we focused on the dynamics around the steady state and formulated objective functions for BSR by partial linear approximation of the focused region. Using the objective functions and modified global cluster Newton method, we developed an algorithm for a thorough exploration of the allowable parameter space for biological systems (TEAPS). We first applied TEAPS to the NF-κB signaling model. This system shows a damped oscillation after stimulation and seems to fit the BSR constraint. By applying TEAPS, we found several directions in parameter space which stringently determines the BSR property. In such directions, the experimentally fitted parameter values were included in the range of the obtained parameter sets. The arachidonic acid metabolic pathway model was used as a model related to pharmacological responses. The pharmacological effects of nonsteroidal anti-inflammatory drugs were simulated using the parameter sets obtained by TEAPS. The structural properties of the system were partly extracted by analyzing the distribution of the obtained parameter sets. In addition, the simulations showed inter-drug differences in prostacyclin to thromboxane A2 ratio such that aspirin treatment tends to increase the ratio, while rofecoxib treatment tends to decrease it. These trends are comparable to the clinical observations. These results on real biological models suggest that the parameter sets satisfying the BSR condition can help in finding biologically plausible parameter sets and understanding the properties of biological systems.

An Evaluation of the Kinetic Properties Controlling the Combined Chemical and Biological Treatment of Toxic Recalcitrant Organic Compounds from Aqueous Solution

Due to their high toxicity, propensity for cancer, teratogenicity, mutagenicity, and genotoxicity, hazardous water-soluble phenolic compounds must be controlled immediately. In this study, a model was created to simulate the degradation of harmful recalcitrant organic compounds in a combined chemical and biological treatment system. The parameter estimations with inhibition coefficient (Haldane model) and without inhibition coefficient (Michaelis-Menten model) were assessed over a wide range of initial concentrations using the Monod-like model. The kinetic parameters were optimized using AQUASIM 2.0 software. At a 50 mg·L−1 feed concentration of 4-chlorophenol, removal efficiencies of more than 98% were attained under these circumstances. The primary kinetic parameters were identified and their values models were validated using the fitted parameter values that reached a good degree of agreement (R2 = 0.998). We may better comprehend and make use of the complex phenolic compounds’ biodegradation processes, such as progress optimization and scale-up, by understanding the mechanisms of substrate interaction and the new kinetic models that have been provided in this work.

Force-Distance Relation for Dental Magnets - Fitted Equation.

The force-distance power law for dental magnets had been unresolved until a theoretical study found that only even inverse powers were allowed; for simple magnets inverse fourth power was the only possibility. It remained to demonstrate that this indeed did apply to real magnets, the present purpose. The force exerted by a series of real dental magnets to a large steel plate, and in a few cases to dental magnet keepers, as a function of distance was recorded. Curve-fitting of that data was explored. using the equation previously used for long dipoles, but allowing the power to be a free parameter. An index of 4 was the only feasible value. Corresponding fitted parameter values were then examined in relation to magnet design and each other. The theoretical power law index was confirmed to be 4. For a satisfactory fit, a 'polar offset' and a 'stretch power' were again required to better approximate the experimental results. Polar offset appears to be a function of apparent pole strength; stretch power less clearly so. The motivating question is settled.

Evolution of holographic dark energy model with adiabatic matter creation

We study the holographic dark energy (HDE) with adiabatic matter creation process to explain the present-day accelerated expansion of the Universe. The field equations are discussed and solved analytically for various cosmological parameters such as the Hubble parameter, deceleration parameter and effective equation of state parameter in terms of redshift by considering a more general form of the matter creation rate. The viability of such model is checked using the recent data of Type Ia supernovae Pantheon sample, Hubble function [Formula: see text] data, joined data of baryon acoustic oscillations/cosmic microwave background and latest local [Formula: see text] by SH0ES. We achieve the most fitting values of model parameters by performing the statistical analysis of our model with the three different combination of data sets. The HDE model, with IR cutoff as Hubble horizon, in the absence of matter creation does not show phase transition. While the induction of matter creation to the same model shows the recent transition from a decelerating to an accelerated phase. Our outcomes show that the model with matter creation is compatible with the data sets used. We find that the HDE model with matter creation provides the Hubble function which matches sufficiently well with the observed Hubble data. Finally, we perform geometrical and cosmographic analyses to explicate our model and compare it with the other dark energy models like [Formula: see text]CDM model. It is found that the evolution of model starts from Chaplygin gas region in early times, enters into quintessence region in medieval time and finally approaches to [Formula: see text]CDM model.

Quantification of Caffeine Interactions in Choline Chloride Natural Deep Eutectic Solvents: Solubility Measurements and COSMO-RS-DARE Interpretation.

Solubility of active pharmaceutical ingredients is an important aspect of drug processing and formulation. Although caffeine was a subject of many studies aiming to quantify saturated solutions, many applied solvents suffer from not being environmentally friendly. This work fills this gap by presenting the results of solubility measurements in choline chloride natural deep eutectic solvents, ccNADES, comprising one of seven of the following polyalcohols: glycerol, sorbitol, xylitol, glucose, sucrose, maltose and fructose. The ratio of ccNADES components was optimized for maximizing caffeine solubility at room temperature. Additionally, temperature dependent solubility was measured for the first four systems exhibiting the highest solubility potential, both in their neat forms and in mixtures with water. Results were used for intermolecular interactions assessments using the COSMO-RS-DARE approach, which led to a perfect match between experimental and computed solubility values. An important methodological discussion was provided for an appropriate definition of the systems. Surprising linear trends were observed between the values of fitting parameters and water-ccNADES composition. In addition, comments on selection of the values of the fusion thermodynamic parameters were provided, which led to the conclusion that COSMO-RS-DARE solubility computations can effectively compensate for the inaccuracies of these important physicochemical properties.

Spectroscopic valuation of phonon lifetime and surface characteristics of Zn0.96Mg0.04S thin film.

The anharmonic properties of the longitudinal optical (LO) phonon mode of Mg-doped ZnS (Zn0.96 Mg0.04S) are investigated using the Balkanski and Klemens models on the temperature-dependent Raman spectra. The variation in the position of the Raman line, peak width, and phonon lifetime with temperature was fitted using three and four phonon decay mechanisms. The values of the anharmonic fitting parameters indicated low anharmonicity. A lifetime of ∼0.17ps at 90K indicated a fast phonon decay. In addition, the thin film is analyzed to evaluate its surface characteristics using Raman mapping that showed chemical homogeneity over a large area of the film. Furthermore, we analyzed spatial variations of Raman line intensity, peak area, linewidth, and line position of the LO phonon mode. Raman analysis helped in understanding the phonon-phonon interaction mechanism in Zn0.96 Mg0.04S thin films.