Selective Solvent Research Articles

Kinetic Studies of Liquid Phase Hydrogenation of Acetylene for Ethylene Production Using a Selective Solvent over a Commercial Palladium/Alumina Catalyst

Kinetic Studies of Liquid Phase Hydrogenation of Acetylene for Ethylene Production Using a Selective Solvent over a Commercial Palladium/Alumina Catalyst

Polymerization/Depolymerization-Induced Self-Assembly under Coupled Equilibria of Polymerization with Self-Assembly.

Depolymerization breaks down polymer chains into monomers like unthreading beads, attracting more attention from a sustainability standpoint. When polymerization reaches equilibrium, polymerization and depolymerization can reversibly proceed by decreasing and increasing the temperature. Here, we demonstrate that such dynamic control of a growing polymer chain in a selective solvent can spontaneously modulate the self-assembly of block copolymer micellar nano-objects. Compared to polymerization-induced self-assembly (PISA), where irreversible growth of a solvophobic polymer block from the end of a solvophilic polymer causes micellization, polymerization/depolymerization-induced self-assembly presented in this study allows us to reversibly regulate the packing parameter of the forming block copolymer and thus induce reversible morphological transitions of the nano-objects by temperature swing. Under the coupled equilibria of polymerization with self-assembly, we found that demixing of the growing polymer block in a more selective solvent entropically facilitates depolymerization at a substantially lower temperature. Taking ring-opening polymerization of δ-valerolactone initiated from the hydroxyl-terminated poly(ethylene oxide) as a model system, we show that polymerization/depolymerization/repolymerization leads to reversible morphological transitions, such as rod-sphere-rod and fiber-rod-fiber, during the heating and cooling cycle and accompanied by changes in macroscopic properties such as viscosity, suggesting their potential as dynamic soft materials.

Fixed-bed adsorption of perfluorooctanoic acid from water by a polyamine-functionalized polychlorotrifluoroethylene-ethylene polymer coated on activated carbon

Perfluorooctanoic acid (PFOA) has received extensive attention because of its ubiquitous presence in the aqueous environmental phase and concerns of its impact on human health. An economical and effective adsorption method is in demand to help resolve the issue. In this study, a polyamine-functionalized polychlorotrifluoroethylene-ethylene polymer coated activated carbon (AC) was synthesized via a two-step reaction. The fluoropolymer based on the repeating unit ethylene-chlorotrifluoroethylene (ECTFE) was applied as the binding medium to connect activated carbon with polyethyleneimine (PEI). Hence a dual grafted activated carbon-based sorbent AC-ECTFE-PEI was generated. Through the adsorption evaluation of packed columns by on-line detection flow analysis, the optimum synthetic stoichiometry parameters to produce AC-ECTFE-PEI, based on the longest adsorption breakthroughs, were determined to be the 5:2 AC/ECTFE and 1:1 AC-ECTFE/PEI mass ratios. The new adsorbent has shown a strongly enhanced initial adsorption breakthrough to PFOA compared to AC, 270 min vs. 110 min, under the same adsorption conditions. AC-ECTFE-PEI was also characterized by attenuated total reflectance infrared spectroscopy, BET surface area analysis, and scanning electron microscopy. The functional group alterations during the reactions and the morphology information of the sorbent have also been elucidated. The Thomas, Adams-Bohart, and Yoon-Nelson models respectively were used to describe the adsorption behavior, indicating an PFOA adsorption capacity of 380 mg/g sorbent, 120 mg/L sorbent column, and a 50% average breakthrough time of 350 min for 100 mg/L PFOA removal, under a 1 mL/min flow rate and a 2 cm bed height. The regeneration study of AC-ECTFE-PEI of more than five adsorption-desorption cycles indicates good sustainability and stability. Both electrostatic and hydrophobic interactions of PFOA were justified using selective solvent compositon of the mobile phase as the two main adsorption mechanisms. The electrostatic forces of PFOA on AC-ECTFE-PEI, AC-ECTFE, and AC were also evaluated by their zeta-potential values.

Ether vs. Carbonate solvents in Na–CuS Batteries: Impact on anode Morphology, SEI Formation, and desolvation dynamics

Traditionally, electrolyte solvents in batteries have been regarded primarily as carrier for ion transporters. Here, we reveal the critical roles of solvents in transforming microscale anode materials into porous nanostructures and in facilitating the formation of thinner, more efficient solid-electrolyte interphase (SEI) layers. Using machine-learning-assisted molecular dynamics simulations combined with density functional theory calculations on Na–CuS batteries, we unveil the significant yet previously unclear impact of solvent choice on solvation/desolvation dynamics, a complex area that has been difficult to resolve with traditional methods. We demonstrate that solvent choice significantly impacts the capacity, particularly the rate performance, primarily due to the desolvation dynamics, thus establishing a direct correlation between solvent selection and battery performance. Our findings highlight DEGDME as the optimal solvent for Na–CuS half-cells, due to its low Na desolvation energy and favorable Na–O bond energy. This leads to exceptional energy capacity (610 mAh/g at 2C) and ultrafast charging capability (520 mAh/g at 30C). This research marks a significant advancement in energy storage technology by demonstrating the crucial role of solvent selection in anode morphology, SEI formation, and desolvation energy optimization.

Helix-Sense-Selective Permeation of Racemic Helical Oligoacetylenes through One-Handed Helical Channels in Polymer Membranes.

Helix-sense-selective permeation (HSSPerm) of racemic helical oligoacetylenes through one-handed helical channels has been realized. The one-handed helical channels were created in the one-handed helical polyacetylene membranes by the helix-sense-selective decomposition (HSS-SCAT) of the corresponding racemic helical polyacetylene membranes, followed by removing the formed oligomers. Since the HSS-SCAT reaction proceeds with just circularly polarized visible light with no reagents, no catalysts, no solvent, and high selectivity, the chiral channel-containing membrane with high purity was obtained easily. This membrane could separate racemic helical oligoacetylenes enantioselectively in up to 30%ee. To our knowledge, this is the first example of HSSPerm.

From Bulk to Interface: Solvent Exchange Dynamics and Their Role in Ion Transport and the Interfacial Model of Rechargeable Magnesium Batteries.

Multivalent battery chemistries have been explored in response to the increasing demand for high-energy rechargeable batteries utilizing sustainable resources. Solvation structures of working cations have been recognized as a key component in the design of electrolytes; however, most structure-property correlations of metal ions in organic electrolytes usually build upon favorable static solvation structures, often overlooking solvent exchange dynamics. We here report the ion solvation structures and solvent exchange rates of magnesium electrolytes in various solvents by using multimodal nuclear magnetic resonance (NMR) analysis and molecular dynamics/density functional theory (MD/DFT) calculations. These magnesium solvation structures and solvent exchange dynamics are correlated to the combined effects of several physicochemical properties of the solvents. Moreover, Mg2+ transport and interfacial charge transfer efficiency are found to be closely correlated to the solvent exchange rate in the binary electrolytes where the solvent exchange is tunable by the fraction of diluent solvents. Our primary findings are (1) most battery-related solvents undergo ultraslow solvent exchange coordinating to Mg2+ (with time scales ranging from 0.5 μs to 5 ms), (2) the cation transport mechanism is a mixture of vehicular and structural diffusion even at the ultraslow exchange limit (with faster solvent exchange leading to faster cation transport), and (3) an interfacial model wherein organic-rich regions facilitate desolvation and inorganic regions promote Mg2+ transport is consistent with our NMR, electrochemistry, and cryogenic X-ray photoelectron spectroscopy (cryo-XPS) results. This observed ultraslow solvent exchange and its importance for ion transport and interfacial properties necessitate the judicious selection of solvents and informed design of electrolyte blends for multivalent electrolytes.

Optimizing Echinodorus macrophyllus extracts: Assessing extraction conditions for chemical marker enrichment and evaluating inhibitory effects on cytokines release by THP-1 cells

This study investigated various extractive methods and solvents with the goal of producing standardized extracts of Echinodorus macrophyllus for future industrial applications. Extracts were prepared through percolation, dynamic maceration, and static maceration, utilizing 96°GL ethanol (EtOH) and hydroethanolic solutions (90% EtOH, 70% EtOH, and 50% EtOH) as solvents. The highest extraction yields were achieved with 70% EtOH and 50% EtOH across all extractive methods. Both percolation and static maceration produced 50% and 70% EtOH extracts with elevated concentrations of chemical markers (cis- and trans-aconitic acids, homoorientin, chicoric acid, swertisin, caffeoyl-feruloyl-tartaric acid, and di-feruloyl-tartaric acid) and demonstrated superior inhibition rates of TNF and IL-1β release by LPS-stimulated THP-1 cells. Notably, these extracts were obtained in the form of fine powders, distinguishing them from extracts derived from 96°GL EtOH and 90% EtOH solutions. While the 50% EtOH and 70% EtOH extracts prepared by percolation or static maceration exhibited similar chemical composition and biological effects, percolation emerged as the preferred technique due to its ability to generate larger extract volumes. Principal component analysis (PCA) revealed robust correlations between these extracts and the contents of chemical markers but did not unveil significant correlations between higher marker contents and the inhibition of TNF and IL-1β release by THP-1 cells. These findings provide a basis for the future production of high-quality herbal preparations, emphasizing the critical role of extraction methods and solvent selection in pharmaceutical applications.

Rational solvent selection for the preparation of industrial monolithic supported liquid-phase (SLP) olefin hydroformylation catalyst

Heterogenisation of the hydroformylation (HyFo) process converting C4 olefins and syngas (CO/H2) to n-pentanal can substantially reduce its carbon footprint by simplifying downstream processing. Current upscaling efforts include constructing a pilot plant containing a Rh-diphosphite-stabilized supported liquid-phase (SLP) catalyst. The air-sensitive nature of the catalyst requires in-situ impregnation of the porous support material with the liquid phase components (Rh-precursor, ligand, stabiliser) entailing the use of large quantities of an organic solvent. Environment, health, and safety (EHS) as well as regulatory aspects prompt the search for an alternative to dichloromethane (DCM), which was used as standard solvent for lab-scale studies. To obtain alternatives to DCM, the replacement solvent methyl tert-butyl ether (MTBE) and in-silico screening of more than 5000 solvent candidates has been performed covering boiling points and solubility predictions by COSMO-RS as well as carcinogenicity- and mutagenicity predictions by quantitative structure–activity relationship (QSAR) models. The final list of solvent candidates contained unsaturated compounds (alkenes, alkynes) in addition to ether- and ester-functionalized​ solvents, which are typically recommended as DCM replacements. Sufficiently high solubilities of ligand and stabiliser to prepare the desired SLP catalyst were experimentally determined in the following solvents: methyl propionate (MP), dimethoxymethane (DMM), MTBE, tetrahydrofuran (THF) and DCM for benchmarking, and a monolithic SLP catalyst prepared with MTBE demonstrated to perform equally well in the HyFo reaction of 1-butene as the benchmark catalyst prepared using DCM solvent. Overall, the study demonstrates a practical approach for selecting solvents with a greener profile for making catalyst systems applicable for large-scale production.

Solvent selection and studies of the anti-corrosion efficacy of Heliotropium curassavicum leaves extract on API L X60 steel in 5 wt% hydrochloric acid solution

Corrosion is a huge challenge in the manufacturing industry during sticky oxides, grease, and rust removal from metal surfaces. It is often managed by the use of inhibitors and current interest is on sustainable inhibitors with less to zero harmful effects. This study explores the efficacy of Heliotropium curassavicum leaves extracts (HCLEs) in retarding the deterioration of API X60 grade steel in 5 wt% HCl solution and the influence of extracting solvent namely acetone (ACE), ethanol (ETH), water (WAT), butanol (BUT), methanol (MET), isopropanol (ISO), and ethyl acetate (ETA) on performance. The characterization of the HCLEs was achieved by Fourier-transform infrared (FTIR) and ultraviolet–visible (UV–vis) spectroscopies while the weight loss, electrochemical, and surface examination approaches were used for anticorrosion property evaluation. The results disclose that irrespective of extracting solvent, the extracts could suppress the dissolution of the substrate under the studied conditions. The best performance is, however, noted for ethanolic HCLE where 300 mg/L protected the substrate surface by 51.46% at 25 °C. Hence, ethanolic HCLE was selected for detailed studies and results indicate that the steel surface can be protected by 78.42% if 1000 mg/L of extract is used. Furthermore, the performance of the extract improves upon an increase in the temperature of the corrodent. The findings suggest that ethanolic HCLE could be considered for material protection during HCl pickling.

HSPiP, Computational, and Thermodynamic Model-Based Optimized Solvents for Subcutaneous Delivery of Tolterodine Tartrate and GastroPlus-Based In Vivo Prediction in Humans: Part I.

Tolterodine tartrate (TOTA) is associated with adverse effect, high hepatic access, varied bioavailability, slight aqueous solubility, and short half-life after oral delivery. Hansen solubility parameters (HSP, HSPiP program), experimental solubility (T = 298.2 to 318.2K and p = 0.1MPa), computational (van't Hoff and Apelblat models), and thermodynamic models were used to the select solvent(s). HSPiP predicted PEG400 as the most suitable co-solvent based on HSP values (δd = 17.88, δp = 4.0, and δh = 8.8 of PEG400) and comparable to the drug (δd = 17.6, δp = 2.4, and δh = 4.6 of TOTA). The experimental mole fraction solubility of TOTA was maximum (xe = 0.0852) in PEG400 confirming the best fit of the prediction. The observed highest solubility was attributed to the δp and δh interacting forces. The activity coefficient (ϒi) was found to be increased with temperature. The higher values of r2 (linear regression coefficient) and low RMSD (root mean square deviation) indicated a good correlation between the generated "xe" data for crystalline TOTA and the explored models (modified Apelblat and van't Hoff models). TOTA solubility in "PEG400 + water mixture" was endothermic and entropy-driven. IR (immediate release product) formulation can be tailored using 60% PEG400 in buffer solution for 2mg of TOTA in 0.25mL (dosing volume). The isotonic binary solution was associated with a pH of 7.2 suitable for sub-Q delivery. The approach would be a promising alternative with ease of delivery to children and aged patients.

In-vitro comparative study of solvent effect on antioxidant properties of leaf extracts of Anthocleista djalonensis

This study demonstrated that the extraction solvents play an important role in the extraction of important bioactive compounds with antioxidant properties from the leaves of Anthocleista djalonensis. Anthocleista djalonensis, a plant native to tropical Africa, is believed to have antioxidant properties due to its bioactive composition. The powdered leaves were macerated using local gin, hot distilled water, and analytical ethanol to extract bioactive compounds. The in vitro antioxidant activity of these extracts was assessed using 2, 2-diphenyl-1-picrylhydrazyl (DPPH) scavenging assays, nitric oxide scavenging assay, and hydrogen peroxide scavenging assay. Ascorbic acid was used as a reference. The DPPH and hydrogen peroxide scavenging tests showed concentration-dependent responses. Distilled water had the lowest IC50 value of 0.079 mg/ml and showed the most antioxidant potential in DPPH. Local gin demonstrated significant hydrogen peroxide scavenging ability with an IC50 value of 0.12 mg/ml, surpassing the standard drug. The nitric oxide scavenging assay showed a concentration-dependent increase in both ethanol and local gin extracts. Ethanol and local gin extracts showed maximum antioxidant activity, with ethanol extract showing 22.84% inhibition and local gin extract showing a higher activity of 46.29% inhibition. However, ascorbic acid showed the highest inhibition of nitric oxide production at 57.10%. The study highlights the importance of solvent selection in herbal preparation for optimal health benefits regarding antioxidant activity.

Core-Shell Double Gyroids Directed by Selective Solvation for ABC Triblock Terpolymers.

The formation of ABC triblock terpolymers through solution casting is still challenging. In this study, core-shell double gyroid network structures are fabricated via solution casting using poly(2,2,2-trifluoroethyl methacrylate) (PTFEMA) (F)-b-[poly(4-vinylpyridine) (P4VP) (P)]-b-[polystyrene (PS) (S)] (FPS) triblock terpolymers in N,N-dimethylformamide (DMF). Upon heat treatment, the polymer tends to form a sphere-in-lamellar structure at the F/S interface. Given the solubility properties of each component in DMF, it is anticipated that the effective volume fraction of F relative to P would increase in concentrated solutions and the effective volume fraction of S would decrease. The microphase-separated structure derived from the DMF solution consistently results in the formation of a network structure composed of a core-shell double gyroid, with F as the matrix, P as the shell, and S as the core, and their periodic lengths gradually increase to 110.8, 131.8, and 162.7nm as increase molecular weights of PS blocks to 13.8, 20.7, and 28.8kg mol-1. Based on the solubility properties of the polymer components highlighted in this study, the solvent selection strategy is broadly applicable to ABC triblock terpolymers featuring various polymer components, offering a more efficient avenue for fabricating core-shell double gyroid structures.

Relationship between Solvent Polarity and Reaction Rate in Organic Synthesis

Purpose: The aim of the study was to assess the relationship between solvent polarity and reaction rate in organic synthesis. Methodology: This study adopted a desk methodology. A desk study research design is commonly known as secondary data collection. This is basically collecting data from existing resources preferably because of its low cost advantage as compared to a field research. Our current study looked into already published studies and reports as the data was easily accessed through online journals and libraries. Findings: Polar solvents tend to enhance reaction rates for polar reactions due to their ability to stabilize charged intermediates and transition states. Conversely, nonpolar solvents often accelerate nonpolar reactions by minimizing solvation effects and promoting favorable interactions between reactants. However, there are exceptions to these trends, as solvent effects can also be influenced by factors such as hydrogen bonding, solute-solvent interactions, and solvent viscosity. Additionally, the choice of solvent can impact the selectivity and yield of the desired product. Thus, understanding the interplay between solvent polarity and reaction kinetics is crucial for optimizing organic synthesis processes. Experimental studies and computational modeling techniques play key roles in elucidating these relationships and guiding solvent selection for specific reactions. Implications to Theory, Practice and Policy: Transition state theory, solvent-solute interactions and microscopic solvation models may be used to anchor future studies on assessing the relationship between solvent polarity and reaction rate in organic synthesis. Audit firms should invest in ongoing training and professional development programs to enhance the skills and knowledge of auditors. This includes staying updated on industry-specific issues, emerging risks, and advanced audit methodologies. Regulatory authorities should continue to strengthen their oversight of the audit profession. This includes periodically reviewing and updating auditing standards, enforcing compliance with auditing regulations, and imposing penalties for audit failures.

Mechanically Robust Reversibly Cross‐Linked Polymers with Closed‐Loop Recyclability for Use in Flexible Printed Circuit Boards

AbstractIt remains a huge challenge to efficiently recycle the printed circuit boards (PCBs) because of the diversity and complexity of the PCBs in terms of material composition. The recycling of PCBs highly depends on the design of the polymers that make up the polymer substrates and conductive pastes. Herein, closed‐loop recyclable plastics for use as the polymer substrates and for the preparation of the conductive pastes are fabricated by dynamically cross‐linking phenylboronic acid‐functionalized poly(methylmethacrylate) (PMMA‐B) and poly(urea‐urethane) (PUU‐B) with boroxines. The closed‐loop recyclable plastic, which is denoted as PMMA‐PUU exhibits a breaking strength of 71.0 MPa and Young's modulus of 1.8 GPa. Because of the dynamic nature of boroxines, the PMMA‐PUU0.6 plastic can be depolymerized in the N, N‐dimethylacetamide/ethanol mixture solvent. The depolymerized PMMA and PUU can be efficiently recovered in high yields and purity through their solubility differences in selective solvents. Conductive pastes suitable for printing of electrical circuits are fabricated through complexation of Ag particles with PMMA‐PUU. PCBs composed of PMMA‐PUU substrates and PMMA‐PUU‐based conductive pastes are flexible, healable, and recyclable. The closed‐loop recycling of the PCBs enables the collection of highly purified Ag particles, PMMA‐B, and PUU‐B monomers even when the PCBs are mixed with polymer wastes.

Factors Affecting Silica/Cellulose Nanocomposite Prepared via the Sol-Gel Technique: A Review.

Cellulose/silica nanocomposites, synthesised through the sol-gel technique, have garnered significant attention for their unique properties and diverse applications. The distinctive characteristics of these nanocomposites are influenced by a range of factors, including the cellulose-to-silica ratio, precursor concentration, pH, catalysts, solvent selection, temperature, processing techniques, and agitation. These variables play a pivotal role in determining the nanocomposites' structure, morphology, and mechanical properties, facilitating tailoring for specific applications. Studies by Raabe et al. and Barud et al. demonstrated well-deposited silica nanoparticles within the interstitial spaces of cellulosic fibres, achieved through TEOS precursor hydrolysis and the subsequent condensation of hydroxyl groups on the cellulose fibre surface. The introduction of TEOS established a robust affinity between the inorganic filler and the polymer matrix, emphasising the substantial impact of TEOS concentration on the size and morphology of silica nanoparticles in the final composites. The successful functionalisation of cellulose fibres with the TEOS precursor via the sol-gel method was reported, resulting in reduced water uptake and enhanced mechanical strength due to the strong chemical interaction between silica and cellulose. In research conducted by Feng et al., the silica/cellulose composite exhibited reduced weight loss compared to the pristine cellulose matrix, with the integration of silica leading to an elevated temperature of composite degradation. Additionally, Ahmad et al. investigated the effects of silica addition to cellulose acetate (CA) and polyethylene glycol membranes, noting an increase in Young's modulus, tensile strength, and elongation at break with silica incorporation. However, concentrations exceeding 4% (w/v) resulted in significant phase separations, leading to a decline in mechanical properties.

Impacts of synthesis variables on spectroscopics evaluation of biobased fatty amide as alkylammonium salt’s precursor for perovskite

Ammonium salts are widely used in chemical industries as additives in cement industries, phase change materials in thermal cooling, ionic materials in electrochromic window and multifunction medium/precursor/catalyst in solar cells to improve the efficiency and stability. This work introduces a procedural enhancement by incorporating a liquid-liquid extraction purification process, resulting in a high-purity biobased fatty amide (FA) with tri-substitution and high-purity biobased tetraalkylammonium ammonium salt (TAS). Biobased FA derived from renewable sources was synthesized via an amidation reaction between fatty acids from vegetable oil with tris(3-aminopropyl)amine under reflux conditions, producing a precursor for TAS used in perovskite solar cell (PSC). This study aimed to optimize and determine the reaction condition of biobased FA at various key synthesis variables by investigating the effects of solvent selection, reaction and crystallization, temperature, catalyst, mole ratio, and dehydrating agent on synthesis yield. A multiple liquid-liquid extraction process was employed to enhance the purity of biobased FA by tunning the selection of solvent based on its relative polarity of the reactant and products. Response surface methodology (RSM) and central composite design (CCD) were utilized to optimize the total yield and the three key variables (reaction time, crystallization time, catalyst amount) respectively. The experimental model developed in this study demonstrated a high degree of fitness with the experimental data (F-value = 27.34), p-value < 0.05) and nonsignificant lack of fit. The model predicted a maximum synthesis yield percentage of 52.62 % under optimal conditions (reaction and crystallization time of 12 and 28 hours), respectively with 4.47 % catalyst). The coefficient of determination of R2 = 0.98 shows a high correlation with the predicted values and in good agreement with the experimental values. Physicochemical properties analysis using spectroscopies techniques, confirmed improved purity with 100% abundance yield of tri-substitution biobased FA and enhanced TAS’s purity up to 60%. The optimization study sheds light on the impact of key synthesis variables on the synthesis yield and percentage abundance (purity), advancing the development of more efficient and tailored sustainable construction materials. These findings highlight the potential of using biobased FA as a sustainable source for TAS production, contributing to a more environmentally friendly approach in PSC development.

Study on design strategies and on new structure-performance relationships for CO2 capture in gas-liquid hollow fiber membrane contactors

The urgent need for carbon dioxide (CO2) capture technologies motivates this chemical engineering study, which systematically investigates the influence of macroscopic and microscopic structure on the CO2 absorption performance of hydrophobic alumina (Al2O3) hollow fiber membrane (A-HFMs) contactors. Six different A-HFMs prepared using the non-solvent-induced phase separation (NIPS) method with select solvents followed by sintering at 1300°C were then tested for chemical CO2 absorption in an A-HFM contactor using a monoethanolamine (MEA) solution. The hydrophobicity of the coatings applied on the A-HFM surfaces was confirmed by the water contact angle and thermogravimetric (TGA) analysis. Pearson's statistical analysis of a correlation matrix revealed the strength of relationships between nine variables, including outer diameter (mm), inner diameter (mm), percentage of sponge layer (%), pore size (nm), maximum pore size (nm), mechanical strength (MPa), surface porosity (m−1), overall porosity (%), and CO2 absorption flux (mol m−2 s−1). Building upon these findings, this study unveils a novel non-linear function linking three specific microscopic characteristics— pore size, surface porosity, and a geometric sponge layer factor—to CO2 absorption flux, offering valuable insights for optimizing hydrophobic A-HFM design and enhancing CO2 capture efficiency. The A-HFM, characterized by the combination of three factors (higher pore size, increased surface porosity, and a thicker sponge layer), achieved a CO2 absorption flux of 6.36 ×10−3 mol m−2 s−1 at room temperature, showcasing its exceptional performance in capturing CO2. The resulting empirical morphological factor provides a novel approach for enhancing the performance of CO2 absorption through A-HFM design optimization.

Unraveling multi-template molecularly imprinted polymer for selective extraction of triazole antifungals: Theoretical and experimental investigation

Fungal coinfection is an emerging problem in the COVID-19 pandemic. Aspergillus and Candida species are the most prevalent pathogens. Therapeutic drug monitoring of triazole antifungals as a first-line therapy is required to increase their effectiveness and minimize toxicity. Bioanalysis of triazole antifungals requires selective extraction because of the complexity of matrices. Molecularly imprinted polymers (MIP) are potential solutions for increasing selectivity. This study aimed to synthesize a selective MIP sorbent to simultaneously determine voriconazole, itraconazole, and fluconazole concentrations through computational and laboratory studies. The host-guest interaction was used in the selection of monomer and solvent. The synthesis was optimized by precipitation and bulk methods using single and multi-template. Adsorption tests, characterizations, and application to the sample were performed to analyze the MIP performance. The optimal synthesis obtained using the precipitation method with mol ratio of template:monomer:crosslinker was 1:4:20. Adsorption equilibrium was established within 3 h and following pseudo-second-order kinetic. The MIP-P9 provided the highest adsorption capacity and followed the Freundlich isotherm. Characterization of MIP confirmed the successful synthesis and template removal of MIP. MIP was selective to triazole antifungals and had higher recovery than NIP and SPE C18. Based on these findings, MIP can be utilized for direct separation in clinical analysis.

Evaluating solvent efficiency for carbon capture: Comparative analysis of temperature, concentration and diffusivity effects

In the pursuit of efficient carbon capture technologies, the selection and design of solvents play a pivotal role, directly impacting various crucial factors such as CO2 absorption capacity, equipment size, and regeneration energy requirements. The primary focus is on optimizing solvent systems through a comprehensive analysis of intermolecular interaction intensity, diffusion coefficient, and intra-molecular interaction intensity. This study employs a molecular dynamics simulation model to identify the most suitable solvent system by assessing the effect of operating variables like temperature, concentration, interaction intensity, and diffusivity of various single and blended amine systems. The assessment utilizes the radial distribution function and mean square displacement analysis. The results indicate that intermolecular interactions with CO2 are most significant in 30 wt% 2EAE, 40 wt% 2DMAE and 10% DMCA with 20% MCA ratio concentrations. TMPAD, in particular, stands out for its high repulsive interaction and low energy requirement for breaking the carbamate/bicarbonate ion. Diffusion behavior in various observed solvent systems is as follows: EAE > MEA > DMAE > MAE-DEAB > MAE-DMA2P > EAE-TMPAD > AMP-PZ > EAE-DEAB > MAE-TMPAD > EAE-DMA2P > MAE-DMAE > EAE-DMAE > TMPAD > MEA-AMP > DMA2P > DMCA-MCA > DEAB > MEA-PZ. Moreover, elevated temperatures facilitate enhanced diffusivity, leading to accelerated mass transfer rates. This implies the possibility of reducing the size of absorber units and lowering energy consumption. Further studies on heat of absorption and kinetic characteristics of solvent blends are necessary to ensure their practical applicability in carbon capture and industrial operations.

In Situ Monitoring the Face-on to Bimodal Texture Transition of P(NDI2OD-T2) during Side-Chain Selective Solvent Vapor Annealing

In Situ Monitoring the Face-on to Bimodal Texture Transition of P(NDI2OD-T2) during Side-Chain Selective Solvent Vapor Annealing