Sorption Model Research Articles

In-situ analysis of water transport properties through a reinforced composite membrane in polymer electrolyte membrane fuel cells

This study presents a comprehensive in-situ analysis of water transport properties through an expanded polytetrafluoroethylene (ePTFE)-reinforced composite membrane, representing a notable advancement over previous studies that primarily focused on Nafion membranes. The membrane water content was measured using dynamic vapor sorption (DVS) isotherms, and the temperature dependence of sorption was investigated using a new dual-mode sorption (NDMS) model, which showed an excellent fit with an adjusted coefficient of determination (Radj2) greater than 0.96. By employing the hydrogen pumping mode and polymer electrolyte membrane fuel cells (PEMFC) mode, we established empirical correlations for the coefficients of water diffusion, electro-osmotic drag (EOD), and ionic conductivity as functions of water content and cell temperature. The correlation results exhibited a maximum relative error of less than 3.14 %. In addition, we isolated the water diffusion coefficients of the gas diffusion layer (GDL) and catalyst layer (CL) from the membrane to refine our analysis. This study enhances the understanding of water management in PEMFCs by establishing correlations for water diffusion, EOD coefficient, and ionic conductivity. These findings underscore the potential of reinforced composite membranes in advancing fuel cell technology by optimizing water transport, which is crucial for improving fuel cell performance and enabling more precise PEMFC modeling.

Effective Uptake of Cadmium and Chromium from Wastewater Using Carbon-Based Capsicum annuum

Toxic metal ions such as cadmium-Cd(II) and chromium-Cr(VI) are toxic, do not degrade easily in nature, and can cause various disorders and diseases in humans. Removing and monitoring Cd(II) and Cr(VI) ions is necessary for improving water quality. This study aimed to produce an adsorbent from activated carbon of Capsicum annuum and assess its ability to adsorb Cd(II) and Cr(VI) ions from water. The results showed that the adsorbent from C. annuum was porous after its conversion to activated carbon. The pH(PZC) of carbon-based Capsicum annuum was acidic, with a pH of 2.68. The highest capacities for both metal ions were observed at a pH of 1 for Cr(VI) and pH 5 for Cd(II), with capacities of 18.38 and 29.48 mg/g, respectively. The Freundlich sorption model proved to be the most suitable method. The adsorption of Cr(VI) and Cd(II) increased when the initial concentrations were raised from 20 and 60 mg/L; thereafter, a decrease was observed. The data showed that the adsorption of Cd(II) was fast and reached a maximum in 40 min, while Cr(VI) increased with time up to 30 min; thereafter, the rate for Cr(VI) decreased, while equilibrium was reached for Cd(II) ions. The temperature effect showed that the adsorption of Cd(II) and Cr(VI) ions reached a maximum at 55 and 45 °C, respectively. The results of enthalpy change (ΔH°) showed that the uptake process was exothermic, while the change in thermodynamic values of Gibbs energy (ΔG°) indicated that the sorption process was spontaneous and achievable. The greatest adsorption capacities for Cd(II) and Cr(VI) ions were 34.34 and 15.24 mg/g, respectively. The activated carbon from C. annuum proved to be effective for the adsorption of Cd(II) and Cr(VI) from wastewater.

Mineral-associated organic matter is heterogeneous and structured by hydrophobic, charged, and polar interactions

The formation of mineral-associated organic matter (MAOM) is a key phenomenon that may explain the slow turnover rates of carbon in soil organic matter (SOM). Despite this, important details pertaining to the structure and dynamics of MAOM remain unknown. In the present study, we use replica-exchange molecular dynamics simulations to gain insight into the structure of MAOM on the surface of prototypical phyllosilicate clay and Fe-oxide minerals, montmorillonite and goethite, fine-grained minerals that strongly impact soil carbon dynamics in temperate and tropical regions, respectively. We examine the impact of aqueous chemistry through the presence of either Na[Formula: see text] or Ca[Formula: see text] charge balancing counterions. Our results are consistent with the hypothesized multilayer sorption ("onion-skin") model of MAOM and help to explain previous observations regarding the patchy distribution of SOM on mineral surfaces. In particular, the SOM coatings are partial and laterally heterogeneous, and water retains extensive access to mineral surfaces even when significant SOM sorption occurs. Low molecular weight neutral SOM molecules ([Formula: see text]200 Da) infrequently interact with the mineral surfaces nor their sorbed organic matter coatings and are increasingly labile with decreasing molecular weight. This observation is inconsistent with a central feature of the predominant soil continuum model of SOM and suggests that further iterations of the conceptual model may be required.

Biphenyl derived hyper-crosslinked polymer as a metal-free adsorbent for the removal of pharmaceuticals from water

The global concern of emergent aquatic pollutants, especially pharmaceutical contaminants, emphasizes the necessity for metal-free adsorbents to tackle water contamination issues. In this direction, a biphenyl-derived hyper-crosslinked polymer (poly-biph) was utilized as an adsorbent for the removal of ciprofloxacin (CPX) and doxycycline (DOX) from water. Micro-mesoporous hyper-crosslinked polymeric adsorbent (poly-biph) was synthesized by using biphenyl as precursor and formaldehyde dimethyl acetal (FDA) as crosslinker via microwave assisted method. It exhibits specific surface area (SABET) and pore volume of 1088 m2/g and 1.3 cm3/g, respectively. The spectral analysis confirmed the successful crosslinking of biphenyl with the linker FDA. The sorption efficiency of metal-free poly-biph for CPX and DOX was evaluated via batch and continuous flow modes under various operational parameters. poly-biph exhibited swift removal efficiency (>80 %) for CPX and DOX within a min. The batch mode sorption modeling revealed a chemisorption process and remarkable maximum sorption capacity of 470.8 and 425.1 mg/g for CPX and DOX, respectively. The continuous-flow studies of poly-biph revealed the better applicability of the Clark kinetic model with a maximum bed capacity of 313.5 and 372.4 mg/g for CPX and DOX, respectively. Synergistic mechanisms, including π-π interaction, electrostatic interaction, and pore-filling effect, were found to be the main driving forces for the sorptive removal of CPX and DOX onto poly-biph. The findings indicated that poly-biph possesses the ability to effectively eliminate DOX and CPX from the aquatic environment.

Removal of Lithium onto chitosan derivative using Taguchi method

This study aimed to remove lithium from a water-based mixture using a low molecular weight chitosan derivative (LMWCHT-LA-GLA). Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM), and Nuclear Magnetic Resonance (NMR) spectroscopy were used to assess the sorbent. Lithium sorption capabilities were enhanced by LMWCHT-LA-GLA's functional groups OH, NH2, and COOH. The initial concentration, sorbent dosage and pH had the biggest effects on sorption efficiency. At the ideal initial lithium content of 1 mg/L, sorbent quantity of 0.10 g and solution pH of 6, the percentage of removal was 62.75 %. The analysis of variance (ANOVA) revealed that the initial lithium concentration contributed the largest percentage (94.10 %) to the removal efficiency. Utilizing the Freundlich, Temkin and Langmuir sorption models, the experimental data were examined. The experimental data and the Langmuir isotherm agreed fairly well with a maximum sorption capacity of 7.00 mg/g. Pseudo-first- and pseudo-second-order kinetic models were used to analyze the kinetic data obtained at the optimal initial concentration. The pseudo-second-order model provided a good fit to the experimental data. Thermodynamic studies were used to determine the kind of lithium sorption. Overall results suggested that LMWCHT-LA-GLA is a promising sorbent for the removal of lithium from aqueous solution.

Heavy-Metal Ions Control on PFAS Adsorption on Goethite in Aquatic Systems.

Per- and polyfluoroalkyl substances (PFAS) are ubiquitous environmental contaminants that often co-occur with heavy metals. Despite their prevalence, the mobility of PFAS in complex, multicomponent systems, particularly at the molecular scale, remains poorly understood. The vast diversity of PFAS and their low concentrations alongside anthropogenic and natural substances underscore the need for integrating mechanistic insights into the sorption models. This study explores the influence of metal cations (Cu(II), Cd(II), and Fe(II)) on the adsorption of four common PFAS (PFOA, PFOS, PFDA, and GenX) onto goethite (α-FeOOH), a common iron (oxyhydr)oxide in both aquatic and terrestrial environments. PFAS adsorption was highly dependent on the PFAS type, pH, and metal ion concentration, with a surface complexation model effectively predicting these interactions. Cu(II) and Cd(II) enhanced PFOS and PFDA adsorption via ternary complexation while slightly reducing PFOA and GenX adsorption. Under anoxic conditions, Fe(II) significantly increased the adsorption of all PFAS, showing reactivity greater than those of Cu(II) and Cd(II). Additionally, natural organic matter increased PFAS mobility, although metal cations in groundwater may counteract this by enhancing PFAS retention. These findings highlight the key role of metal cations in PFAS transport and offer critical insights for predicting PFAS behavior at oxic-anoxic environmental interfaces.

Innovative Juncus effusus plant biofilter for enhanced ammonia removal: design, construction, and preliminary testing

A developing trend in stormwater treatment and management is the use of green technologies. Plant biofilters have been gaining increasing use in support of green technology objectives. This technical note reports on the development and preliminary testing of a laboratory-scale plant biofilter prototype for ammonia removal using a South African native plant species (Juncus effusus). The prototype design was based on a conceptual model for nitrogen fixation, plant uptake, bacterial nitrification and soil sorption. Additionally, a plug compartment was incorporated into the design to simulate plug flow as part of the conceptual model. Biofilter models with and without inoculated bacteria were compared. Ammonia reduction, nitrite and nitrate formation were observed. Results showed that the inoculated plant biofilter performed best, with an average of 61% reduction in ammonia within the filter compared to 15% in the normal plant biofilter. The incorporation of a plug compartment aided in slowing down the ammonia infiltration rate, increasing the retention time, and allowing for nitrification to occur.

Effect of particle size on the transport of polystyrene micro- and nanoplastic particles through quartz sand under unsaturated conditions

Micro- and nanoplastics (MNPs) are contaminants of emerging concern recently found in soil ecosystems. Their presence in terrestrial environments and their migration to aquatic environments may become a risk for the health of ecosystems and, through them, of humans. Understanding the interaction between particle properties and physicochemical and hydrodynamic factors is crucial to evaluate their fate and their potential infiltration towards groundwater. This study investigates the impact of particle size on MNPs transport through sand under unsaturated conditions. Infiltration column experiments with polystyrene MNPs ranging from 120 to 10,000 nm were conducted and supported by numerical modelling to derive reactive transport parameters. Results show a significant effect of particle size on the transport of MNPs, with higher recovery values observed for smaller particles (120 nm; 95.11%) compared to larger particles (1000 nm; 71.44%). No breakthrough was observed for 10,000 nm particles, indicating a complete retention within the quartz sand matrix. DLVO theory confirmed the dominance of electrostatic repulsive forces between MNPs and sand grains, suggesting an unfavourable environment for MNPs to adhere to quartz sand. Consequently, particle retention in the sand matrix occurs predominantly by physical processes. Equilibrium sorption modelling reveals that larger particles (1000 nm) tend to be immobilized in small pores throats due to straining, resulting in lower recoveries. When they are not trapped, particles tend to travel faster through preferential flows due to a size exclusion effect, evidenced by shorter arrival times at the column outlet compared to tracers. These findings highlight the influence of particle size on the transport and retention of MNPs in quartz sand under unsaturated conditions and contribute to a better understanding of their transport dynamics and environmental fate.

Применение моделей адсорбции при исследовании поглощения ионов никеля почвой

The aim of the presented work is to study the absorption of nickel ions by soils of the Udmurt Republic using four sorption models. Humus horizons (0–20 cm) of Albeluvisols Umbric, Leptosols Rendzinic and Phaeozems Albic soils widely distributed in Udmurtia were selected as objects of nickel adsorption research. According to the Langmuir model, good sorbents are characterized by high Amax values and low – KL, therefore, the best sorbent of nickel ions is Albeluvisols Umbric (Amax=0.0562 mol/kg, KL=2075.19 dm3/mol), and a weaker absorber is Phaeozems Albic (Amax=0.0192 mol/kg, KL=19474.48 dm3/mol), Leptosols Rendzinic occupies an intermediate position (Amax=0.0289 mol/kg, KL=14766.47 dm3/mol). The negative value of the Gibbs energy (∆G=–17.97 kJ/mol for Albeluvisols Umbric, –22.59 kJ/mol for Leptosols Rendzinic and –23.24 kJ/mol for Phaeozems Albic) indicates the spontaneous nickel adsorption by soil absorbing complex (SAC). In accordance with the Freundlich model, in all types of studied soils, the nickel ion – SAC binding energy decreases as the surface is filled, herewith the studied soils are characterized by heterogeneity of sorption centers. The approximation coefficient of the Temkin model is in the range of 0.80–0.85, therefore, the discrepancy between the experimental data of the theoretical model indicates the absence of interaction between the adsorbed particles. The Dubinin – Radushkevich model allows us to determine the nature of adsorption forces, as well as the value of the average free energy of adsorption: E=8,325 kJ/mol in Albeluvisols Umbric, 9.5477 kJ/mol in Leptosols Rendzinic and 9.6296 kJ/mol in Phaeozems Albic. Consequently, chemisorption is characteristic of all soils, and proceeds by an ion-exchange mechanism.

Removal of Lead Cations by Novel Organoclays Derived from Bentonite and Amphoteric and Nonionic Surfactants.

For many decades, natural and modified clay minerals have been used as adsorbents to clean up aquatic and soil ecosystems contaminated with organic and inorganic pollutants. In this study, organoclays based on bentonite and various amphoteric and nonionic surfactants were synthesized and tested as effective sorbents for lead ions. The maximum values of R were obtained when describing the sorption processes using the Langmuir model, which ranged from 0.97 to 0.99. The adsorption of lead ions by these organoclays was investigated using different sorption models including the Langmuir, Freundlich, and BET. It was found that, according to the values of limiting adsorption to the Langmuir equation, the synthesized organoclays formed an increasing series: organoclay with cocamide diethanolamine < bentonite < organoclay with lauramine oxide < organoclay with sodium cocoiminodipropionate < organoclay with disodium cocoamphodiacetate < organoclay with alkyl polyglucoside. The Gibbs energy for all of the analyzed samples was calculated and found to be negative, indicating the spontaneity of the cation adsorption process in the forward direction. The maximum value of the adsorption capacity of lead cations on organoclay-based bentonite with alkyl polyglucoside was 1.49 ± 0.05 mmol/g according to the Langmuir model, and 0.523 ± 0.003 mmol/g as determined by the BET model. In the process of modifying bentonite, there was an increase in negative values of the zeta potential for organoclays compared to the initial mineral, which clearly enhanced their electrostatic interactions with the positively charged lead ions. It was hypothesized, based on the physicochemical principles, that exchange adsorption is the main mechanism for lead absorption. Based on chemical approaches, organoclays based on amphoteric surfactants absorb lead mainly through the mechanisms of electrostatic attraction, ion exchange, and complexation as well as the formation of insoluble precipitates. Organoclays based on nonionic surfactants, on the other hand, absorb lead through mechanisms of complexation (including chelation) and the formation of insoluble chemical precipitates. The comparison of isotherms from different models allows us to find the most accurate match between the model and the experimental data, and to better understand the nature of the processes involved.

Regulation of the co-transport of toluene and dichloromethane by adsorbed phase humic acid under different hydro-chemical conditions

The transport behavior of combined organic pollutants in soil and groundwater has attracted significant attention in recent years. Research on the influence of humic acid (HA) on organic pollutant transport behavior mainly focuses on the study of the mobile phase HA, with less research on the adsorbed phase HA, especially regarding its interaction with combined pollutants. To enhance understanding of the regulation of co-transport and retention of combined pollutants by adsorbed phase HA, in this study, tests were conducted to investigate how toluene (TOL) and dichloromethane (DCM) are transported in the presence of adsorbed phase HA at different pH levels and ionic strengths. As the proportions of HA-coated sand increased, so did its adsorption capacity for TOL and DCM, which can be attributed to adsorbed phase HA providing more adsorption sites compared to plain sand, thereby reducing the transport potential of the pollutants. The presence of both TOL and DCM facilitated their mutual transportation due to competitive adsorption controlled by the adsorbed phase HA content in the porous medium. Furthermore, it was observed that pH levels influenced the transport behavior of TOL and DCM when adsorbed phase HA was present since adsorbed phase HA transformation into mobile phase was regulated by pH levels. The transport patterns can be effectively simulated using the chemical nonequilibrium two-site sorption model in HYDRUS-1D, accurately reflecting the retardation coefficients and transport distances based on model parameters. This work sheds new light on the regulatory role of adsorbed phase HA in TOL and DCM transport under diverse hydrochemical conditions, with implications for accurately depicting the behavior of combined pollutants, optimizing the remediation strategies and improving remediation efficiency in contaminated sites.

Diffusion and sorption of water vapor by polyamide‐imides

AbstractThe study of sorption and diffusion characteristics of glassy polymers based on polyamide‐imides was carried out using the methods of static sorption, dilatometry, electron microscopy. Water sorption isotherms of polyamide‐imides based on trimellitimido‐N‐acetic acid (PAI‐A) and trimellitimido‐N‐p‐benzoic acid (PAI‐B) with different intramolecular ‘hinges’ in the diamine fragment were obtained. The isotherms are S‐shaped and occupy an intermediate position between polyheteroarylenes and aliphatic polyamides. The dual sorption model was used to interpret the results. It is shown that the Langmuir component of the isotherms is determined by the thermal prehistory of glassy polymers, while the sorption component associated with water dissolution according to Flory‐Huggins is determined by the chemical nature of the functional groups included in the monomeric unit. The diffusion coefficients of water and the temperature and concentration dependences of the diffusion coefficients of sorbed water molecules were determined.

Photoaged tire wear particles hinder the transport of Pb(II) in urban soils under acid rain: Experimental and numerical investigations

Rapid urbanization brought lots of serious environmental contamination, including the accumulation of heavy metals, acid rain, and the emission of tire wear particles (TWPs), with detrimental effects for terrestrial ecosystems. Nevertheless, how naturally aged TWPs affect the mobilization of heavy metals in soils under acid rain is still unclear. Here, we investigate the adsorption and transport mechanisms of Pb(II) co-existing with acid rainwater in soil-TWP mixtures via batch experiments, column experiments and modeling. Results showed that photoaged TWP significantly prolonged the Pb(II) adsorption equilibrium time (1 to 16 h) and enhanced the Pb(II) adsorption capacity of soils. Soil column profiles confirmed that TWP effectively boosted the initial accumulation of lead in the topsoil and thus impeded the downward transport of lead. The retardation factor (R) estimated by the linear two-site sorption model (TSM) fitting the Pb(II) breakthrough curves gradually increased from 1.098 to 16.38 in soils with TWP (0–10 %). Comparative results of linear or nonlinear TSM suggested nonlinear sorption replacing linear sorption as the main Pb(II) sorption mechanism under 1 % and 10 % TWP. This research provides significant insights into the implications of TWP on the Pb(II) retention behaviors and highlights the severer potential remobilization risks of Pb(II) in urban soils under different acid rain environments.

Migration of naphthalene in a biochar-amended bioretention facility based on HYDRUS-1D analysis

Biochar has been proved as a promising and efficient filler in bioretention facilities for enhancing the stormwater pollutants removal. However, the migration behaviors of stormwater pollutants in biochar filled bioretention facilities is unclear. In this study, as one of the most typical stormwater pollutants, naphthalene was selected as an example and a HYDRUS-1D model was first used to understand the migration behavior of naphthalene in a bioretention facility. In comparison with the conventional bioretention soil media (sandy loam), the amended biochar filled bioretention cell showed that the naphthalene removal rate was enhanced by up to 10.1%. Meanwhile, the experimental data was well-fitted by the “two-site sorption model” in HYDRUS-1D model. Another, the effect of rainfall intensity on the naphthalene migration in both bioretention columns was further investigated. The HYDRUS-1D model fitting indicated that the increase in rainfall intensity promoted naphthalene migration by increasing hydraulic conductivity and water flux. In addition, static batch experiments revealed that the biochar filled fillers achieved about 50% higher adsorption capacity than sandy loam. The sensitivity analysis from the HYDRUS-1D model data verified adsorption coefficient Kd and longitudinal dispersivity λ are the main factors affecting naphthalene migration. Finally, the model simulation displays that the proportion of naphthalene retained by the fillers was highest during high rainfall intensities, indicating that the fillers remain the most important fate for naphthalene. This study presents research on the behavior and mechanisms of stormwater pollutant transport through improved bioretention facilities.

Insights on influence of polymer molecular weight on gas sorption, transport and plasticization in glassy 6FDA-DAM polyimide membranes

It is well-known that spinning of defect-free asymmetric polyimide hollow fibers is promoted by using high polymer molecular weight. On the other hand, effects of polymer molecular weight on microstructure and separation performance of dense film 6FDA-based polyimide membranes relevant to sheath layers of composite membranes are less well-explored. In this work, gas sorption, diffusion and permeation of CO2, N2 and CH4 for 6FDA-DAM dense films are considered for 45 kDa and 176 kDa weight average molecular weights. Such molecular weights are relevant for practical hollow fiber spinning of membranes. Earlier results for polystyrene samples show similar trends in dual mode sorption model results like those noted here for the 6FDA-DAM polyimide case; however, effects on permeation like those considered here were not addressed for the polystyrene case. Here we also address actual pure and mixed gas CO2 and CH4 permeation and show higher free volumes, higher gas permeability but lower 50:50 CO2/CH4 selectivity associated with the higher molecular weight sample. Analysis using the self-consistent dual-mode sorption and transport models help understand the observed trends. Our results suggest denser packing of polymer segments exists in the Henry's law environment of the low molecular weight sample. Moreover, the higher polymer segmental packing in the Henry's law environment suppresses CO2 plasticization with a dual-mode microstructure controlling separation performance and plasticization behavior for this important member of the 6FDA polyimide family. We show evidence of effects of charge transfer complexes as possible main features in these trends. These dense film results help guide future work on dense sheath layers on composite hollow fiber membranes.

Numerical and Experimental Approach to Evaluate Microplastic Transport in Saturated Porous Media

Under varying flow rate conditions, the transport and retention of polydisperse microplastics (MPls), with an average particle size of 16 ± 6 µm, were investigated in saturated porous media. First-order reversible and irreversible kinetic sorption models were used to describe the sorption kinetics. Sensitivity analyses provided insight into the effects of each sorption parameter. Both numerical modeling and experimental measurements were utilized to evaluate the retention rates of sand filters. The influence of flow rate on sorption was reflected in variations in the distribution coefficient (Kd), the mass transfer coefficient (β), and the irreversible sorption rate (K1). Lower flow rates were associated with higher Kd and β values, indicating increased sorption and reduced mass transfer rates. An increase in Kd resulted in a more gradual sorption process, with a decrease in peak concentration, whereas changes in β had a comparatively smaller impact on sorption rate and peak concentration. Lower K1 values were linked to higher peak concentrations and decreased retention efficiency. Numerical modeling revealed retention rates of 28 ± 1% at a flow rate of 31 mL min−1 and 17 ± 1% at 65 mL min−1. The introduction of MPls into saturated sand environments modifies the transport dynamics within the medium. Consequently, these alterations affect the hydrological characteristics of porous media, impacting groundwater quality and agricultural output. The mean absolute error (MAE) of 6% between the modeled and observed retention rates indicated a high level of accuracy. This study underscores the importance of examining retention efficiency and the accuracy of numerical models in understanding MPl transport in porous media.

The effect of traditional processing craft on the hygroscopicity of palm leaf manuscripts

Palm leaf manuscripts, which are crucial carriers of historical, religious, scientific, and artistic information in East and Southeast Asia, specifically encapsulate significant aspects of Buddhist culture and thus require comprehensive research and preservation efforts. The base material of palm leaf manuscripts is processed palm leaves, which are hygroscopic and profoundly affected by environmental humidity. Currently, there is a research gap regarding the impact of traditional processing crafts and natural aging on the hygroscopicity of palm leaf manuscripts. Utilizing dynamic water vapor sorption (DVS), the hygroscopic properties of palm leaves from various years were assessed before and after traditional processing in Yunnan Province, China. The results show that traditional processing slightly increases the equilibrium moisture content (EMC) in environments with 0 to 60% relative humidity (RH), but significantly lowers EMC in high humidity environments, with reductions up to 19.01%. Additionally, hysteresis doubled post-processing, indicating enhanced stability under fluctuating humidity conditions. Sorption models suggest that traditional processing increases the number of adsorption sites while reducing physical adsorption or capillary condensation. FT-IR (Fourier-transform infrared spectroscopy) analysis indicates that the relative contents of cellulose and hemicellulose were reduced by 39.90% and 3.97%, respectively. Degradation occurring in both the crystalline and amorphous regions of cellulose. After natural aging, the hygroscopicity of processed palm leaves improved across the entire humidity range of 0 to 95%, and there was a slight increase in hysteresis. This is due to the increase in both adsorption sites and physical adsorption capabilities. FT-IR results also indicate that the relative contents of cellulose and hemicellulose were decreased by 57.52% and 19.83% after nature aging, respectively. These findings confirm that traditional processing improves the writability and humidity resilience of the leaves, while natural aging enhances their overall hygroscopic properties. This research contributes to our understanding of how humidity damages palm leaf manuscripts. aids in determining optimal RH ranges for storage, and assesses the effectiveness of consolidation treatments in their long–term preservation.

Non-Invasive, Continuous, Quantitative Detection of Solvent Content in Vacuum Tray Drying

A non-invasive capacitance instrument was embedded in the base of a vacuum-drying tray to monitor continuously the residual amount of solvent left in a pharmaceutical powder. Proof of concept was validated with Microcrystalline Cellulose laced with water, as well as water/acetone mixtures absorbed in a spray-dried Copovidone powder. To illustrate the role of impermeability of the base, we derive a model of vapor sorption that reveals the existence of a kinetic limit when solids are thinly spread, and a diffusion limit with greatly diminished effective diffusivity at large powder thickness. By monitoring the residual solvent content of powders, this new in situ technique offers advantages over indirect methods like mass spectrometry of vapor effluents, but without complications associated with probe fouling. To prescribe design guidelines and interpret signals, we model the electric field shed by the probe when a powder holds variable solvent mass fraction in the vertical direction.Graphical abstract

Differences and implications of strontium distribution coefficient on various granite compositional materials.

The distribution coefficient (Kd) of radionuclides is a crucial parameter in assessing the safety of high-level radioactive waste (HLW) geological repository. It is determined in the laboratory through batch and column experiments. However, differences in obtained Kd values from distinct experiments have not been thoroughly assessed and compared. This study evaluated strontium (Sr) sorption on different granite materials using static batch and dynamic experiments (column and core-flooding experiments). The results from batch sorption experiments showed higher Sr sorption on granite under acidic and strongly alkaline conditions, low solid-liquid ratios, and low ionic strength. In column experiments, a two-site sorption model was used to simulate Sr transport in crushed granite and mixed pure minerals. The sorption of Sr on crushed granite exhibited a higher affinity than that of mixed pure minerals. The dual-porosity transport model was employed to investigate Sr transport behavior in fractured granite in the core-flooding experiment. Kd obtained from batch sorption experiments are four to twenty times higher than those from column experiments, and two to three orders of magnitude higher than that from a core-flooding experiment. The results of this study provide valuable insights into safety assessment for the HLW geological repository.

On languaging a simulation engine: Rapid modeling of nanoporous media sorption by hierarchical language model

Language model intelligence is revolutionizing the way we program materials simulations. However, the diversity of simulation scenarios renders it challenging to precisely transform human language into a tailored simulator. Here, using three types of expert language model, we propose a language-to-simulation (Lang2Sim) framework that enables interactive navigation on languaging a simulation engine, by taking a scenario instance of water sorption in porous matrices. Unlike line-by-line coding of a target simulator, the language models interpret each simulator as an assembly of invariant tool function and its variant input–output pair. Lang2Sim enables the precise transform of textual description by functionalizing and sequentializing the language models of, respectively, rationalizing the tool categorization, customizing its input–output combinations, and distilling the simulator input into executable format. Importantly, depending on its expert type, each language model features a distinct processing of chat history to best balance its memory limit and information completeness, thus leveraging the model intelligence to unstructured nature of human request. Overall, this work establishes language model as an intelligent platform to unlock the era of languaging a simulation engine.