Kinetic Model Research Articles

Degradation of pharmaceuticals and other emerging pollutants employing bi-metal catalysts/magnesium and/or (green) hydrogen in aqueous solution.

Contaminations by pharmaceuticals, personal care products, and other emerging pollutants in water resources have become a seriously burgeoning issue of global concern in the first third of the twenty-first century. As societal reliance on pharmaceuticals continues to escalate, the inadvertent introduction of these substances into water reservoirs poses a consequential environmental threat. Therefore, the aim of this study was to investigate reductive degradation, particularly, catalytic hydrogenation regarding model pollutants such as diclofenac (DCF), ibuprofen (IBP), 17α-ethinylestradiol (EE2), or bisphenol-A (BPA), respectively, in aqueous solutions at lab scale. Iron bimetals (zero valent iron, ZVI, and copper, Cu, or nickel, Ni) as well as zero valent magnesium (Mg, ZVM) in combination with rhodium, Rh, or palladium, Pd, as hydrogenation catalysts (HK), were investigated. Studies were executed through various short-term batch experiments, with multiple sample collections, over a total range of 120min. The results indicated that DCF was attenuated at over 90 % when exposed to Fe-Cu or a Fe-Ni bimetal (applied as a single model pollutant). However, when DCF was part of a mixture alongside with IBP, EE2, and BPA, the attenuation efficacy decreased to 79 % with Fe-Cu and 23 % with Fe-Ni. Conversely, both IBP and BPA exhibit notably low attenuation levels with both bimetals, less than 50 %, both deployed as single substances or in mixtures. No reaction (degradation) products could be identified employing LC-MS, but sometimes a release of the parent pollutant when applying an acetic acid buffer could be noted to a certain extent, suggesting adsorption processes on corrosion products such as iron hydroxide and/or oxides. Surprisingly, Mg in combination with Rh (Rh-HK) or Pd (Pd-HK) showed a significantly rapid decrease in the concentrations of DCF, EE2, and BPA, in part up to approximately 100 %, that is, within a few minutes only in part due to hydrogenation degradation reactions (related reaction products could actually be identified by LC-MS; adsorption processes were not observed here). Moreover, kinetic modeling of the DCF degradation with Mg-Rh-HK was conducted at different temperatures (15 °C, 20 °C, 25 °C, 35 °C) and varied initial concentrations (2.5mg/L, 5.0mg/L, 7.5mg/L, 10.0mg/L). The outcomes prove that the degradation of DCF at the Rh-HK's surface followed a modified first-order kinetics, most probably by catalytic hydrodehalogenation and subsequent hydrogenation of the aromatic moieties (molecular hydrogen was provided by the corrosion of Mg). From the determined reaction rate constants at four different temperatures, the activation energy was estimated to be 59.6kJ/mol by means of the Arrhenius equation what is in good agreement with similar results reported in the literature. This coupled hydrodehalogenation and hydrogenation approach may be upscaled into a new promising technical process for comprehensively removing such pharmaceuticals and similar pollutants in sewage plants in a single step, furthermore, even in combination with adsorption by activated carbon and/or ozonation which have already been established at some sewage plants in Switzerland and Germany recently.

Sequestration of divalent heavy metal ions from aqueous environment by adsorption using biomass-bentonite composites as potential adsorbent: Equilibrium and kinetic studies

Hybrid clay adsorbents have been investigated in recent studies as cheap and effective adsorbents for eliminating micropollutants, such as heavy metal ions from aqueous solution. Here, we modified bentonite (BEN) with palm kernel shell and groundnut shell by calcination to obtain palm kernel shell-modified bentonite (BPKS) and groundnut shell-modified bentonite (BGS). We studied the batch equilibrium adsorption of Pb2+, Cd2+ and Ni2+ ions under the influence of dosage, solution pH, contact time and concentration. Under these conditions, we found that the modified adsorbents (BGS and BPKS) had a higher equilibrium adsorption (qe) for the metal ions than unmodified BEN. BEN exhibited Langmuir adsorption capacities (Qo) of 32.47, 14.04 and 14.16 mg/g for Pb2+, Cd2+ and Ni2+, respectively. BGS and BPKS had Qo values of 29.15, 14.27, 16.61 and 31.75, 17.67, 15.625 mg/g for Pb2+, Cd2+, Ni2+, respectively. Investigations revealed that the rate of adsorption on the three adsorbents is best described by a pseudo-second-order kinetic model, with R2 values ≥ 0.9; the intra-particle diffusion model establishes a surface interaction mechanism involving the exchange of electrons between the surfaces of the adsorbents and the adsorbate. Scanning electron microscopy results suggest porous and heterogeneous adsorbent surfaces, indicating a physio-sorption phenomenon. The modifications increased the surface area of BEN from 78.435 to 194.850 and 140.650 m2/g in BGS and BPKS, respectively, using BET surface area analysis. However, the average pore width of BEN reduces from 3.8 to 3.3 nm in both BGS and BPKS. Also, the modification enhanced the cation exchange capacity in BPKS only. The findings from this study offered invaluable insights into how biomass can enhance the physicochemical properties of BEN, as needed for practical environmental application and/or optimization, during the removal of Pb2+, Cd2+ and Ni2+ ions from aqueous media.

Oxygen Isotopologues Resolved from Water Oxidation Electrocatalysis by Electron Paramagnetic Resonance Spectroscopy.

Electrocatalytic water oxidation is a key transformation in many strategies designed to harness solar energy and store it as chemical fuels. Understanding the mechanism(s) of the best electrocatalysts for water oxidation has been a fundamental chemical challenge for decades. Here, we quantitate evolved dioxygen isotopologue composition via gas-phase EPR spectroscopy to elucidate the mechanisms of water oxidation on metal oxide electrocatalysts with high precision. Isotope fractionation is paired with computational and kinetic modeling, showing that this technique is sensitive enough to differentiate O-O bond-forming steps. Strong agreement between experiment and theory indicates that for the nickel-iron layered double hydroxide─one of the best earth-abundant electrocatalysts to be studied─water oxidation proceeds via a dioxo coupling mechanism to form a side-bound peroxide rather than a hydroxide attack to form an end-bound peroxide.

Sono-assisted photocatalytic degradation of ciprofloxacin in aquatic media using g-C3N4/MOF-based nanocomposite under visible light irradiation.

This research study is centered on the sono-assisted photocatalytic degradation of a well-known antibiotic (ciprofloxacin; CIP) in aquatic media using a g-C3N4/NH2-UiO-66 (Zr) catalyst under visible light irradiation. Initially, the catalyst was prepared by a simple method, and its physiochemical features were thoroughly analyzed by XRD, FT-IR, FE-SEM, EDX, EDS-Dot-Mapping, and UV-Vis analytical techniques. After that, the impact of several influential factors affecting the performance of the applied sono-assisted photocatalytic process such as the initial concentration of CIP, solution pH, catalyst dosage, light intensity, and ultrasound power was fully assessed, and the optimal conditions were established. After 75min of the sono-assisted photocatalytic treatment, the complete degradation of CIP (10mg/L) was accomplished under the condition as follows: g-C3N4/NH2-UiO-66 (Zr), 0.6g/L; pH, 5.0, and ultrasound power, light intensity 75 mw/cm2, 200 W/m2. Meanwhile, the photocatalytic degradation of CIP followed the pseudo-first-order kinetic model. In addition, the scavenger experiments demonstrated that OH˚ and O2°- radicals played a key role in the sono-assisted photocatalytic degradation process. It is also acknowledged that the applied catalyst was reused for five consecutive runs with a minor loss observed in its degradation efficiency. In a further experiment, a significant synergistic effect with regard to the degradation of CIP was observed once all three major parameters (visible light, ultrasound waves, and catalyst) were used in combination compared to each used alone. To sum up, it is thought that the integration of g-C3N4/MOF-based catalyst, ultrasound waves, and visible light irradiation could be potentially applied as a promising strategy for the degradation of various pharmaceuticals on account of high degradation performance, simple operation, excellent reusability, and eco-friendly approach.

PRODIGE - Planet-forming disks in Taurus with NOEMA. II. Modeling the CO (2-1) isotopologue emission of the Class II T Tauri disks in Taurus

To understand how planets form in protoplanetary disks, it is necessary to characterize their gas and dust distribution and masses. This requires a combination of high-resolution dust continuum and molecular line interferometric observations, coupled with advanced theoretical models of protoplanetary disk physics, chemical composition, and radiative transfer. We aim to constrain the gas density and temperature distributions as well as gas masses in several T Tauri protoplanetary disks located in Taurus. We use the 12CO, 13CO, and C18O (2-1) isotopologue emission observed at $0.9 with the IRAM NOrthern Extended Millimeter Array (NOEMA) as part of the MPG-IRAM Observatory Program PRODIGE (PROtostars and DIsks: Global Evolution \, PIs: P. Caselli Th. Henning). Our sample consists of Class II disks with no evidence of strong radial substructures. We use these data to constrain the thermal and chemical structure of these disks through theoretical models for gas emission. To fit the combined optically thick and thin CO line data in Fourier space, we developed the DiskCheF code, which includes the parameterized disk physical structure, machine-learning (ML) accelerated chemistry, and the RADMC-3D line radiative transfer module. A key novelty of DiskCheF is the fast and feasible ML-based chemistry trained on the extended grid of the disk physical-chemical models precomputed with the ANDES2 code. This ML approach allows complex chemical kinetics models to be included in a time-consuming disk fitting without the need to run a chemical code. We present a novel approach to incorporate chemistry into disk modeling without the need to explicitly calculate a chemical network every time. Using this new disk modeling tool, we successfully fit the 12CO, 13CO, and C$ $O (2-1) data from the CI, CY, DL, DM, DN, and IQ Tau disks. The combination of optically thin and optically thick CO lines allows us to simultaneously constrain the disk temperature and mass distribution, and derive the CO-based gas masses. The best-fit disk gas masses range between 0.005 and $0.04 M_ sun $. These values are in reasonable agreement with the disk dust masses rescaled by a factor of 100 as well as with other indirect gas measurements via, for example, modeling of the wavelength dependence of the dust continuum emission radii, and HD and CO isotopologue emission.

Process Optimization and Kinetic Modeling for Sucrose Acylation to Sucrose-6-acetate through the Dibutyltin Oxide Method

Process Optimization and Kinetic Modeling for Sucrose Acylation to Sucrose-6-acetate through the Dibutyltin Oxide Method

Simultaneous Water Sorption and Crystallization in ASDs 2: Modeling Long-Term Stabilities.

The physical stability of amorphous solid dispersions (ASDs) is a major topic in the formulation research of oral dosage forms. To minimize the effort of investigating the long-term stability using cost- and time-consuming experiments, we developed a thermodynamic and kinetic modeling framework to predict and understand the crystallization kinetics of ASDs during long-term storage below the glass transition. Since crystallization of the active phrarmaceutical ingredients (APIs) in ASDs largely depends on the amount of water absorbed by the ASDs, water-sorption kinetics and API-crystallization kinetics were considered simultaneously. The developed modeling approach allows prediction of the time evolution of viscosity, supersaturation, and crystallinity as a function of drug load, relative humidity, and temperature. It was applied and evaluated against two-year-lasting crystallization experiments of ASDs containing nifedipine and copovidone or HPMCAS measured in part I of this work. We could show that the proposed modeling approach is able to describe the interplay between water sorption and API crystallization and to predict long-term stabilities of ASDs just based on short-term measurements. Most importantly, it enables explaining and understanding the reasons for different and sometimes even unexpected crystallization behaviors of ASDs.

Influence of biochar on the removal of Microcystin-LR and Saxitoxin from aqueous solutions

The present study assessed the effective use of biochar for the adsorption of two potent HAB toxins namely, Microcystin-LR (MCLR) and Saxitoxin (STX) through a combination of dosage, kinetic, equilibrium, initial pH, and competitive adsorption experiments. The adsorption results suggest that biochar has excellent capabilities for removing MCLR and STX, with STX reporting higher adsorption capacities (622.53–3507.46 µg/g). STX removal required a minimal dosage of 0.02 g/L, while MCLR removal needed 0.4 g/L for > 90%. Similarly, a shorter contact time was required for STX removal compared to MCLR for > 90% of toxin removed from water. Initial pH study revealed that for MCLR acidic conditions favored higher uptake while STX favored basic conditions. Kinetic studies revealed that the Elovich model to be most suitable for both toxins, while STX also showed suitable fittings for Pseudo-First Order and Pseudo-Second Order in individual toxin systems. Similarly, for the Elovich model the most suited kinetic model for both toxins in presence of each other. Isotherm studies confirmed the Langmuir–Freundlich model as the best fit for both toxins. These results suggest adsorption mechanisms including pore filling, hydrogen bonding, π–π interactions, hydrophobic interactions, electrostatic attraction, and dispersive interactions.

Enhanced uranium removal from leach liquor using raw and activated sludge as sustainable adsorbents

ABSTRACT To eliminate uranium from sulphate leach solution, this study introduces an economical, environmentally friendly adsorbent derived from dewatered municipal sludge (RS) and activated (AS) using calcium oxide. Various analytical methods, including scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), Fourier transform infrared spectroscopy (FTIR), Brunauer – Emmett – Teller (BET) analysis, and X-ray fluorescence spectroscopy (XRF), were employed in the characterisation of both materials. The efficacy of these adsorbents in removing uranium from sulphate leach fluid was systematically explored resulting in the achievement of a maximum adsorption capacity of 33.0 mg g−1 and 60.2 mg g−1 for RS and AS respectively. These adsorption capacity were detected using the following operational parameters: solution pH equals 2.0, 240 min as a contact time between the adsorbent and U(VI) solution, U(VI) initial concentration of 250 mg L−1, adsorbent dosage of 5.0 g L−1 and room temperature. The pseudo-second order kinetic and Langmuir isotherm models were determined to be the most suitable for the U(VI) adsorption process, showing a chemisorption, monolayer, and uniform process for the uranium adsorption by both materials. Using 1.0 M hydrochloric acid, over 96% of the U(VI) was successfully desorbed from the loaded sorbent, and AS sorbent held its stability for six sorption/desorption cycles in a row. Overall, this study offers a promising solution for sewage sludge disposal while addressing economic and environmental concerns.

Nanoemulsion‐laden poly(vinyl) alcohol hydrogel films for transdermal delivery of carbamazepine

AbstractThere is an unmet demand for transdermal devices that can deliver large dose of medications through the skin. Herein, nanoemulsion‐based poly(vinyl alcohol) (PVA) transdermal hydrogel films were developed for the high‐dose anti‐epileptic drug carbamazepine. A stable nanoemulsion was created with almond oil, Tween 60, and amphiphilic locust bean gum. The nanoemulsion had a hydrodynamic diameter of 251 nm, a polydispersity of 10.3%, and a zeta potential of −51.2 mV. Carbamazepine‐loaded nanoemulsion was blended with carbamazepine‐free PVA dispersion and casted into films. To accommodate a high dose, carbamazepine‐loaded nanoemulsion was trapped in a PVA dispersion containing carbamazepine to create transdermal films. The physicochemical characteristics and drug penetration characteristics of the produced films were compared. Both films had the uniform thickness, weight, and drug content. The folding endurance was found to be greater than 700 in both cases. Water vapor permeability decreased when carbamazepine was added to almond oil as well as polymer dispersion. FESEM pictures revealed a waxy paper‐like appearance for the PVA hydrogel film with dual drug‐reservoirs. FTIR spectra assessment revealed a hydrogen bonding interaction between PVA and carbamazepine. X‐ray diffraction examination revealed that the film contained an amorphous dispersion of carbamazepine. Dual carbamazepine reservoir‐based films outperformed single nanoemulsion drug reservoir‐based films in terms of drug flux through excised rat skin by 3.2 times. The in vitro skin permeation findings corresponded well to zero order kinetic models. Overall, this study showed that a high‐dose drug could be placed on nanoemulsion‐based transdermal PVA hydrogel films, resulting in improved skin permeability.Highlights Nanoemulsion was stable at almond oil:Tween 60/modified gum ratio of 5:5. Loading of high dose carbamazepine in nanoemulsion‐PVA transdermal films. Film of dual carbamazepine reservoir showed low water vapor permeation, moisture retention. Flux of carbamazepine from films improved three times through excised rat skin.

Lead (Pb) Sorption Kinetics by Clay Minerals: Bentonite and Zeolite

Background: Heavy metal pollution chiefly lead (Pb) causes various environmental disequilibrium and health hazards. Immobilization of lead (Pb) usingclay minerals is cost effective for metal remediation due to their higher surface area and negative charges. Methods: This study was taken up to assess the Pb removal potentials of bentonite and zeolite from contaminated water and to study the effect of sorbent dosage, initial Pb2+ concentrations and incubation time intervals on Pb adsorption and desorption was studied. Result: Zeolite was effective in immobilising Pb (78.0%) than bentonite (70.9%) which increased with increasing sorbent dosage and time intervals. The pseudo second-order kinetic model described the Pb adsorption precisely. Chemisorption was the dominant mechanism operating in aqueous solution system, hence, it could be concluded that zeolite can be utilized as an efficient sorbent for wastewater treatment.

Synthesis of nano magnetic chitosan modified with acrylamide schiff’s base for simultaneous removal of Cu(II) and Co(II) from waste water samples

ABSTRACT A magnetic nano sorbent based on the functionalization of magnetic chitosan with acrylamide was synthesized for Cu(II) and Co(II) removal from wastewater samples. To characterize the magnetic nano sorbent, they have been applied from Fourier transform infrared spectroscopic analysis (FTIR), X-ray diffraction (XRD) and scanning electron microscopy (SEM) techniques. The effective parameters of Cu(II) and Co(II) adsorption on magnetic nano sorbent such as pH of the solution, adsorbent dose, contact time and sample volume, were optimized. Also, the effective parameters on Cu(II) and Co(II) desorption conditions (type and volume of elution solvent) were optimized. The isotherms and kinetics models for the adsorption of Cu(II) and Co(II) on the magnetic nano sorbent were studied. The data were well-fitted with the Langmuir isotherm and pseudo-second-order model. The maximum adsorption capacities for Cu(II) and Co(II) were 165.4 and 159.9 mg g-1, respectively. Also, the thermodynamic parameters were studied. Application of magnetic nano sorbent for 4 times of use was acceptable. For the real samples, the percentage of recovery was higher than 97% and RSD (%) was between 1.4% and 2.7%. Finally, the magnetic nano sorbent exhibited high performance in removing the Cu(II) and Co(II) from wastewater samples.

Unlocking the potential of biochar: an iron-phosphorus-based composite modified adsorbent for adsorption of Pb(II) and Cd(II) in aqueous environments and response surface optimization of adsorption conditions.

In this work, iron-phosphorus based composite biochar (FPBC) was prepared by modification with potassium phosphate and iron oxides for the removal of heavy metal ions from single and mixed heavy metal (Pb and Cd) solutions. FTIR and XPS characterization experiments showed that the novel modified biochar had a greater number of surface functional groups compared to the pristine biochar. The maximum adsorption capacities of FPBC for Pb(II) and Cd(II) were 211.66mg·g-1 and 94.08mg·g-1 at 293K. The adsorption of Pb(II) and Cd(II) by FPBC followed the proposed two-step adsorption kinetic model and the Freundlich isothermal adsorption model, suggesting that the mechanism of adsorption of Pb(II) and Cd(II) by FPBC involved chemical adsorption of multiple layers. Mechanistic studies showed that the introduction of -PO4 and -PO3 chemisorbed with Pb(II) and Cd(II), and the introduction of -Fe-O increased the ion exchange with Pb(II) and Cd(II) during the adsorption process and produced precipitates such as Pb3Fe(PO4)3 and Cd5Fe2(P2O7)4. Additionally, the abundant -OH and -COOH groups also participated in the removal of Pb(II) and Cd(II). In addition, FPBC demonstrated strong selective adsorption of Pb(II) in mixed heavy metal solutions. The Response Surface Methodology(RSM) analysis determined the optimal adsorption conditions for FPBC as pH 5.31, temperature 26.01°C, and Pb(II) concentration 306.30mg·L-1 for Pb(II). Similarly, the optimal adsorption conditions for Cd(II) were found to be pH 5.66, temperature 39.34°C, and Cd(II) concentration 267.68mg·L-1. Therefore, FPBC has the potential for application as a composite-modified adsorbent for the adsorption of multiple heavy metal ions.

Kinetic Modeling of Co-Pyrogasification in Municipal Solid Waste (MSW) Management: Towards Sustainable Resource Recovery and Energy Generation

Kinetic Modeling of Co-Pyrogasification in Municipal Solid Waste (MSW) Management: Towards Sustainable Resource Recovery and Energy Generation

Enhancing selective production of atomic oxygen through nanosecond pulse-burst driven mode in a He/O2 dielectric barrier discharge

In this study, the temporal evolution of O atoms in a nanosecond burst-pulsed dielectric barrier discharge (DBD) is measured by two-photon absorption laser-induced fluorescence spectroscopy. The experiment is conducted at burst conditions of 50, 100, and 200 kHz pulse frequency, 10 Hz burst frequency, and 20–400 pulses in 0.1%–2% O2 + He mixtures. The accumulation effect of O atoms in the burst mode is observed and the density gradually saturates at around 100 pulses. Increasing the pulse frequency effectively enhances the O saturation density. The 0-dimensional kinetic model reveals that the saturation effect is primarily balanced by the formation and loss characteristics of O atoms. Similar saturation effect is also observed in the typical continuous periodic pulse mode (one pulse each cycle), but with a saturation density about one order of magnitude lower than that in the burst case, highlighting the burst excitation mode as an effective method for enhancing the instantaneous peak production of O atoms. Further investigations into the influence of O2 proportion on the selective production of O atoms are also performed. The results suggest that a low O2 proportion (<2%) and pulse-burst driven mode for the He/O2 DBD facilitates the selective production of O atoms while competing with O3 formation.

Design, Optimization, and Modeling Study of Ultrasound-Assisted Extraction of Bioactive Compounds from Purple-Fleshed Sweet Potatoes

This study focuses on optimizing the ultrasound-assisted extraction (UAE) of bioactive compounds from purple-fleshed sweet potatoes (PFSP) for potential use as natural colorants. Factors such as time, temperature, and solid-to-liquid ratio were varied using a Box–Behnken Design. The optimal conditions were determined as 75 min, 70 °C, and a 1:15 m/v solid-to-liquid ratio, resulting in 18.372 mg/100 g total anthocyanin (TA) and 151.160 mg GAE/100 g total phenolic content (TPC). The validation yielded 18.822 mg/100 g for total anthocyanin and 162.174 mg GAE/100 g for total phenolic content, showing a 7% difference from predictions. UAE significantly increased TA extraction by 81% and TPC by 93% compared with the conventional method, with a notable reduction in process time from 24 h to 75 min. Additionally, three kinetic models were tested to compare extraction mechanisms, confirming the efficiency of UAE for PFSP bioactive compound recovery. This study proposes the UAE technique as a highly effective means of extracting bioactive compounds from PFSP, offering promising applications across multiple industries.

A Nuclear Magnetic Resonance (NMR)- and Mass Spectrometry (MS)-Based Saturation Kinetics Model of a Bryophyllum pinnatum Decoction as a Treatment for Kidney Stones

A Nuclear Magnetic Resonance (NMR)- and Mass Spectrometry (MS)-Based Saturation Kinetics Model of a Bryophyllum pinnatum Decoction as a Treatment for Kidney Stones

Methane Combustion Kinetics over Palladium-Based Catalysts: Review and Modelling Guidelines

Fugitive methane emissions account for a significant proportion of greenhouse gas emissions, and their elimination by catalytic combustion is a relatively easy way to reduce global warming. New and novel reactor designs are being considered for this purpose, but their correct and efficient design requires kinetic rate expressions. This paper provides a comprehensive review of the current state of the art regarding kinetic models for precious metal catalysts used for the catalytic combustion of lean methane mixtures. The primary emphasis is on relatively low-temperature operation at atmospheric pressure, conditions that are prevalent in the catalytic destruction of low concentrations of methane in emission streams. In addition to a comprehensive literature search, we illustrate a detailed example of the methodology required to determine an appropriate kinetic model and the constants therein. From the wide body of literature, it is seen that the development of a kinetic model is not necessarily a trivial matter, and it is difficult to generalize. The model, especially the dependence on the water concentration, is a function of not only the active ingredients but also the nature of the support. Kinetic modelling is performed for six catalysts, one commercial and five that were manufactured in our laboratory, for illustration purposes.

New insight of combined hydrothermal and ultrasonic pretreatment for methane production from anaerobic digestion of food waste

ABSTRACT Food waste (FW) biotransformation into bioenergy has garnered a lot of scientific interest as a way to address the energy crisis and trash disposal issues. FW is converted into biogas, a gaseous combination of biomethane and carbon dioxide. In order to valorize FW, anaerobic digestion (AD) with combined pretreatment (hydrothermal (HT) and ultrasonic (US)) is used as a potential method. Three digesters were investigated: the control (unpretreated), HT(121°C) + US, and HT(134°C) + US, respectively. Based on changes in the combined pretreatment conditions, the paper assessed the methane productivity. Furthermore, kinetic modeling was evaluated with six kinetic models. The results show that the HT pretreatment at 121°C combined with US improves the volatile solid (VS) removal to 73 ± 5% and the methane yield to 529.7 ± 11 NmL/gVS. Both the Transference model and the first order have the greatest fits in terms of R2, and they also have the best fits in terms of relative errors, and methane production rate, respectively. The combined pretreatment has a positive impact on increasing methane yield as well as stabilizing the anaerobic digestion process.

External validation and updating of the infusion rate individualization of soybean oil-based intravenous lipid emulsion: A descriptive cohort study.

Safe and efficient provision of intravenous lipid emulsion (ILE) requires a strategy to individualize infusion rates. Estimating the maximum acceptable infusion rate (MaxInfRate) of soybean oil-based ILE (SO-ILE) in individuals by using a triglyceride (TG) kinetic model was reported to be feasible. In this study, we aimed to externally validate and, if needed, update the MaxInfRate estimation. The maximum TG concentration (TGmax) in patients receiving SO-ILE at MaxInfRate was evaluated to determine if it met the definition of being <400 mg/dl for 90th percentile of patients. The TG kinetic model was evaluated through prediction performance checks and was subsequently updated using the data set of both the previous model development and present validation studies. Out of 83 patients, 74 had TGmax <400 mg/dl, corresponding to a probability of 89.2% (95% CI, 81.9%-95.2%), and the 90th percentile of TGmax was 400 mg/dl (95% CI, 328-490 mg/dl), closely aligned with the theoretical values. However, the individual TGmax values were biased by the infusion rate because the covariate effects were overestimated in the TG kinetic model, requiring a minor revision. The updated MaxInfRate with the combined data set showed unbiased and more accurate predictions. The MaxInfRate was validated in external inpatients and updated with all available data. MaxInfRate estimation for individuals could be an option for the safe and efficient provision of SO-ILE.