Thermal properties of novel phase change materials based on protic ionic liquids containing ethanolamines and stearic acid for efficient thermal energy storage.

In the field of energy harvesting, phase change materials (PCMs) hold great promise. 2-hydroxyethylammonium stearate ([HEA]Ste), bis(2-hydroxyethyl)ammonium stearate ([DHEA]Ste), and tris(2-hydroxyethyl)ammonium stearate ([THEA]Ste) ionic liquids (ILs) demonstrate promising capabilities to enhance thermal energy storage (TES) performance within the 30-100 °C temperature range. This research presents these ILs as PCMs for the first time, emphasizing their environmentally friendly characteristics, safety profile, and cost-effectiveness. The chemical composition and microstructure of these PCMs were investigated using scanning electron microscopy (SEM), and fourier transform infrared spectroscopy (FT-IR), while differential scanning calorimetry (DSC) was employed to assess their latent heat of fusion and specific heat capacity. Furthermore, thermal gravimetric analysis (TGA) was utilized to evaluate the thermal stability of these ILs. In addition, valuable insights into the surface properties and behavior of PCMs at the nanoscale are provided using atomic force microscopy (AFM). Results show that the latent heats of fusion for [HEA]Ste, [DHEA]Ste, and [THEA]Ste are about 171.12, 152.58, and 136.55 kJ kg-1, respectively. Also, thermal stability analysis shows the maximum stability (99.5%) for [HEA]Ste. Ultimately, a custom-built setup featuring a cell containing a PCM derived from synthesized ILs and a commercially available thermoelectric generator (TEG) was employed to measure live voltage (V) in the conversion of heat energy into electrical power. On the other hand, specifically in this measurement we recorded the output voltage (open circuit case) of the TEG device versus time and demonstrated that after turning off the thermal energy source, the proposed system provides the electrical energy for a while (more than 2 hours).

Harnessing the power of natural deep eutectic solvents (choline chloride/sucrose) and polypropylene glycol in the formation of aqueous biphasic systems and the application of these systems in drug extraction.

In recent times, there has been considerable interest in utilizing aqueous biphasic systems (ABSs) containing natural deep eutectic solvents (NADESs) for the extraction of various substances. In this study, we focused on investigating the phase behavior of ABSs composed of poly(propylene) glycol 400 and NADESs (specifically, choline chloride/sucrose with molar ratios of 2 : 1 and 1 : 1). By analyzing the compositions of tie-lines, it was observed that these ABSs, which consist of four components, exhibit characteristics similar to ternary systems. To examine the influence of molar ratios on phase separation, the binodal model was applied to the obtained binodal data. The NRTL and UNIQUAC models were employed to establish correlations for the tie-lines. Moreover, we examined the extraction capabilities of the aforementioned ABSs for three commonly used drugs: diclofenac potassium, acetaminophen, and salicylic acid. To assess the efficiency of extraction, partition coefficients and extraction efficiencies were calculated for each drug. The results revealed that the extraction efficiency of these drugs into the polymer-rich top phase is dependent on their hydrophobicity. Furthermore, we employed the Diamond-Hsu equation, along with its modified version, to establish correlations between the experimental partition coefficients of the drugs and NADES overall concentrations.

Novel protic ionic liquids-based phase change materials for high performance thermal energy storage systems.

Phase change materials (PCMs) are an important class of innovative materials that considerably contribute to the effective use and conservation of solar energy and wasted heat in thermal energy storage systems (TES). The performance of TES can be improved by using environmentally friendly PCMs called ionic liquids (ILs) based on ethanolamines and fatty acids. The 2-hydroxyethylammonium, bis(2-hydroxyethyl)ammonium, and tris(2-hydroxyethyl)ammonium palmitate ILs, which function is in the temperature range of 30-100 °C and provide a safe and affordable capacity, are introduced in this study for the first time as PCMs. PCMs' chemical composition and microstructure were examined using fourier transformation infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM), respectively. DSC was used to evaluate the ILs' latent heat of fusion and specific heat capacity, while TGA was used to establish their thermal stability. Finally, a home-made device with a PCMs (synthesized ILs) container cell and a commercial thermoelectric generator device to record the real-time voltage (V) was used to convert thermal energy into electrical energy.

Thermodynamic studies of solute-solute and solute-solvent interactions in ternary aqueous systems containing {betaine + PEGDME250} and {betaine + K3PO4 or K2HPO4} at 298.15 K.

In this work, to evaluate solute-solute, solute-solvent and phase separation in aqueous systems containing {betaine + poly ethylene glycol dimethyl ether with molar mass 250 g mol-1 (PEGDME250)}, {betaine + K3PO4} and {betaine + K2HPO4}, first water activity measurements were made at 298.15 K and atmospheric pressure using the isopiestic technique. The water iso-activity lines of these three systems were obtained which have positive deviations from the semi-ideal solutions. This suggests that betaine-polymer and betaine-K3PO4 or betaine-K2HPO4 interactions are unfavorable; and these mixtures may form aqueous two-phase systems (ATPSs) at certain concentrations. Indeed the formation of ATPSs was observed experimentally. Then, osmotic coefficient values were calculated using the obtained water activity data; and, using the polynomial method the solute activity coefficients were determined. Using these activity coefficients, the transfer Gibbs energy ([Formula: see text]) values were calculated for the transfer of betaine from aqueous binary to ternary systems consisting polymer (PEGDME250) or salts (K3PO4 and K2HPO4). The obtained positive [Formula: see text] values again indicated that there is unfavorable interaction between betaine and these solutes. Finally, the volumetric and ultrasonic studies were made on these systems to examine the evidence for the nature of interactions between betaine and the studied salts or polymer.

Solubility of hesperidin drug in aqueous biodegradable acidic choline chloride-based deep eutectic solvents.

Important efforts have been made over the past years to improve the drug acts, which leads to the discovery of novel drug preparations and delivery systems. The selection of suitable green solvents for novel drug discovery and drug delivery depends on a molecular-level understanding of the interaction between drug molecules and the solvents. Deep eutectic solvents (DESs) are already used in sustainable extraction methods of natural products for their very high solvent power, high chemical and thermal stability, non-toxicity, and non-flammable. The thermodynamic investigation provides deep and complete knowledge of interactions and the choice of appropriate and suitable production compounds in pharmaceutical fields. Particularly, the analysis of drugs+DESs in aqueous media is a central issue in many types of research. This research is aimed to determine hesperidin (HES) solubility in water and DES solvents [choline chloride/citric acid (ChCl/CA), choline chloride/oxalic acid (ChCl/OA), choline chloride/malonic acid (ChCl/MA), and choline chloride/lactic acid (ChCl/LA)] at temperature range (298.15-313.15 K). Furthermore, the measured solubility data of HES in studied aqueous DESs solutions was fitted by models of Van't Hoff-Jouyban-Acree and Modified Apelblat-Jouyban-Acree. Finally, the Hansen solubility parameters as thermodynamic aspect for analyzing the dissolution processes for the four investigated aqueous DESs solutions were estimated.

Hollow and porous TiO2 in PVA matrix nanocomposite green synthesis using ionic liquid micelle for Congo red removal from contaminated water.

A new green procedure has been applied to prepare TiO2 nanocomposite in polyvinyl alcohol (PVA) matrix using an aqueous micelle solution of ionic liquid 1-methyl-3-octylimidazolium bromide by determining critical micelle concentration (CMC). The COSMO-SAC model has been used to calculate the activity coefficient of water and understand the water molecules' behavior in the synthesis mixture. The prepared nanocomposite was porous and layered that has been characterized using FT-IR, XRD, DSC, TGA, SEM, EDX, and elemental mapping. The prepared nanocomposite has been used to remove Congo red dye from contaminated water with the adsorption process. The Langmuir, Freundlich, and Temkin isotherms have been used for modeling equilibrium adsorption of dye removal. Also, the optimized process factors have been evaluated that could achieve 97% dye removal in the following conditions: pH = 12, T = 25 ℃, and t = 45 min using 0.2 g TiO2@PVA (Mesh 100)/L of 10 ppm Congo red aqueous solution. Also, the efficiency of the nanocomposite was 88% after 5 recovery cycles from the optimized condition.

Liquid-liquid equilibrium measurements and computational study of salt-polymer aqueous two phase system for extraction of analgesic drugs.

In recent decades, aqueous two phase systems have gained a lot of attention for extraction of different materials. In this work, an aqueous two phase system was made by polyethylene glycol 600 and potassium hydroxide and phase diagram were determined for this system. The experimental binodal data were described using two empirical nonlinear three parameter expressions developed by Merchuk and Zafarani-Moattar. The consistency of the experimental tie-line data was determined by utilizing the Othmer-Tobias, Bancraft, and Setschenow correlations. Also, the extraction of two analgesic drugs, namely ibuprofen and acetaminophen were investigated by the mentioned ATPS. For this purpose, partition coefficients and extraction efficiencies of each drug were calculated. The trend of extraction efficiencies indicated that the responsibility of extraction of the mentioned drugs into the polymer-rich top phase is related to their hydrophobicity. The Diamond-Hsu equation and its modified version were used to correlate the drugs experimental partition coefficients. Furthermore, the interaction of mentioned drugs with polyethylene glycol was investigated employing quantum computing techniques based upon density functional theory (DFT). These results were in good agreement with the trend of extraction efficiencies of studied drugs.

Application of acidic deep eutectic solvents in green extraction of 5-hydroxymethylfurfural.

The extraction of the 5-hydroxymethylfurfural (5-HMF), as building block for many applications, from aqueous solutions has been became an indispensable challenge. Consequently, this study investigated the extraction ability of acidic deep eutectic solvent-based aqueous two-phase system (ATPS), choline chloride as hydrogen bond acceptor (HBA) and lactic acid, oxalic acid and citric acid as hydrogen bond donor (HBD), countering polypropylene glycol 400 at T = 298.15 K. Two semi-empirical Zafarani-Moattar et al. and Merchuk equations were used to fit the measured binodal data. Further, the NRTL and UNIQUAC models were used for correlating of tie-line data. The consistency of the experimental tie-line data was determined by utilizing the Bachman-Brown and Hand correlations. Also, the performance of these ATPSs to partitioning of 5-HMF, were investigated by calculation of extraction efficiencies, EE% and partition coefficients, K. This strategy indicates DES-based ATPSs have the acceptable extraction efficiency of the 5-HMF in a single-step extraction. A greenness assessment tool, Analytical GREEnness metric (AGREE), was tested to evaluate of greenness of analytical protocol.

Deep eutectic solvents for antiepileptic drug phenytoin solubilization: thermodynamic study.

Thermodynamic investigations provide information about the solute-solvent interactions in the selection of the proper solvent for different fields of pharmaceutical sciences. Especially, the study of antiepileptic drugs in solutions (ethanol/co-solvent) has been a subject of interest owing to their effect in the systems using interaction with a number of important biological membranes. This work focuses on the measurement of density and speed of sound of the phenytoin (PTH) in ethanol/deep eutectic solvents (choline chloride:ethylene glycol, and choline chloride:glycerol) solutions as the innovative class of green solvents at temperature range (288.15 to 318.15) K. It was determined Hansen solubility parameters for assessment of PTH interactions in the solvent media. Some thermophysical parameters including apparent molar volumes Vϕ, apparent molar isobaric expansion [Formula: see text], and Hepler's constant, apparent molar isentropic compressibility κφ were obtained and calculated using these data. To correlate  the Vϕ and κφ values, the Redlich-Meyer equation was used to calculate the number of quantities containing standard partial molar volume and partial molar isentropic compressibility. Finally, [Formula: see text] values showed a strong interaction between PTH and solvent (ethanol/DES (ChCl:EG)). The thermodynamic analysis of the studied system also plays a crucial role in the pharmaceutical industry.

Thermodynamic Properties of Ternary Systems Containing (LiCl and LiBr) + Propylene Carbonate + Ionic Liquid (1-Alkyl-3-methylimidazolium Thiocyanate).

The development of the Li-ion battery Industry in a green way is crucial for human beings' future. Ionic liquids (ILs) are green cosolvents that could be applied in Li-ion battery electrolytes. A thermodynamic study has been carried out for a Li-ion electrolyte (propylene carbonate (PC) + LiCl and LiBr) in the presence of IL 1-alkyl-3-methylimidazolium thiocyanate [RMIM][SCN] (R = butyl, hexyl, and octyl). The studied thermodynamic properties were density, speed of sound, apparent molar volume, and compressibility. The effect of ILs in propylene carbonate (PC) has been investigated under atmospheric pressure at T = (288.15-318.15) K. Also, a microscopic approach using scaled particle theory has been implemented. The solvation effect of lithium halides, LiX (X = Cl-, Br-), on the volumetric and compressibility properties of the ILs has been studied at 298.15 K. The results show that [OMIM][SCN] has the strongest interactions with PC in the studied ILs and these interactions are more weakened with the addition of LiBr than LiCl. According to the partial molar compressibility results, the systems containing [OMIM][SCN] could be used under pressure more beneficially than other systems from the thermodynamic aspect of view.

Cytotoxicity of some choline-based deep eutectic solvents and their effect on solubility of coumarin drug.

The effect of some deep eutectic solvents (DESs) on the coumarin solubility has been investigated using Hansen solubility parameters (HSP). The solubility of coumarin was measured in aqueous systems containing some DESs based on choline chloride (ChCl) as hydrogen bond acceptor (HBA) with urea (U), ethylene glycol (EG), and glycerol (GLY) as hydrogen bond donors (HBD) by widely applied shake-flask method at T = (298.15 to 313.15) K. The results indicate that coumarin solubility enhances with the concentration of DESs and temperature. Also, coumarin was dissolved more than 80 times compared with pure water in the presence of ChCl/EG. Then experimental data were fitted to Wilson, electrolyte Non-Random Tow-Liquid (e-NRTL), and UNIQUAC activity coefficient models. Furthermore, the dissolution thermodynamic properties including enthalpy, Gibbs free energy, and entropy have been calculated based on Gibbs and van't Hoff equations. Due to these results, it is indicated that coumarin dissolution in the studied systems is an endothermic process. Moreover, to investigate the biological properties of DESs, MTT assay have been applied to determinate cytotoxicity of the DESs. In the melanoma skin cell line, cell culture tests revealed that these solvents had very low toxicity and high biocompatibility.

Ultrasound-assisted of alkali chloride separation using bulk ionic liquid membrane.

An ultrasonic-assisted separation of alkali chloride (LiCl, NaCl, and KCl) salts have been carried out using of an hydrophobic ionic liquid membrane (ILM). The ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate and tributyl phosphate mixture have been used as ILM. An ultrasonic probe with different frequencies (25, 100, and 250) kHz have been applied as source of ultrasound generator with different times of sonication (2, 5, and 10) min in three phases system containing feed, ILM, and receiver in osmotic U-shaped tube. Also, 250, 500, and 1000 ppm of the feed (alkali chloride) concentration have been used to separate. The frequency of 250 kHz with higher sonication time provides optimum condition for separation of LiCl with lower feed concentration. The thermodynamic properties such as density and speed of sound and the related thermodynamic properties have been calculated to optimize ILM composition (xIL = 0.45) for ultrasound-separation.

Pd supported on clicked cellulose-modified magnetite-graphene oxide nanocomposite for C-C coupling reactions in deep eutectic solvent.

Cellulose-modified magnetite-graphene oxide nanocomposite was prepared via click reaction and utilized for immobilization of palladium (Pd) nanoparticles without using additional reducing agent. The abundant OH groups of cellulose provided the uniform dispersion and high stability of Pd nanoparticles, while magnetite-graphene oxide as a supporting material offered high specific surface area and easy magnetic separation. The as-prepared nanocomposite served as a heterogeneous catalyst for the Heck and Sonogashira coupling reactions in various hydrophilic and hydrophobic deep eutectic solvents (DESs) as sustainable and environmentally benign reaction media. Among the fifteen DESs evaluated for coupling reactions, the hydrophilic DES composed of dimethyl ammonium chloride and glycerol exhibited the best results. Due to the low miscibility of catalyst and DES in organic solvents, the separated aqueous phase containing both of the catalyst and DES can be readily recovered by evaporating water and retrieved eight times with negligible loss of catalytic performance.

p-Phenylenediaminium iodide capping agent enabled self-healing perovskite solar cell.

In this study, p-Phenylenediaminium iodide (PDAI) is used to in-situ growth of 2D (PDA)2PbI4 perovskite layer between (FAPbI3)0.85(MAPbBr3)0.15 3D perovskite and CuSCN as a cheap hole transport layer. The results indicate that the incorporation of 5 mg mL-1 PDAI leads to enlarged grain sizes, compact grain boundaries, reduced trap density, efficient charge extraction, and enhanced stability of perovskite film. Passivation of perovskite film with the appropriate amount of PDAI helps in achieving efficient perovskite solar cell with a PCE as high as 16.10%, a JSC of 21.45 mA cm-2, a VOC of 1.09 V, and FF of 70.21%, with negligible hysteresis and excellent moisture stability which remains 99.01% of its initial PCE value after 5 h in high relative humidity of 90 ± 5% and shows unchanged PCE after 1440 h in low relative humidity of 15 ± 5%. Most strikingly, this ultra-thin 2D passivation layer by the use of PDA cations as a bulky spacer not only passivates the defects on the surface of perovskite film but also induces self-healing properties in PSCs which can be rapidly recovered after keeping away from water vapor exposure. This study introduces the cheap and extra stable perovskite solar cells with outstanding self-healing ability towards commercialization.

A highly selective green supported liquid membrane by using a hydrophobic deep eutectic solvent for carrier-less transport of silver ions.

A new supported liquid membrane (SLM) was designed by using a suitable deep eutectic solvent (DES) as the hydrophobic liquid membrane phase for the selective and facilitated carrier-less transport of Ag+ ions. The deep eutectic solvent was composed of a 4/1 molar ratio of l-menthol/salicylic acid and was impregnated into a microporous polypropylene membrane to prepare a novel carrier-less SLM system. The highly selective facilitated transport of silver ions was accomplished by using sodium thiosulfate as a highly selective stripping agent for Ag+ ions in the aqueous strip phase (SP). Some important factors, including the concentration of picric acid in the feed phase (FP), pH of the two aqueous phases, stirring rate, transport time, and nature and concentration of the stripping agent were also investigated and optimized. In the presence of 2.8 × 10-2 mol L-1 picrate ions as an appropriate ion pairing agent in the FP and 0.025 mol L-1 thiosulfate as a convenient metal ion acceptor in the SP, the amount of Ag+ ion transport found to occur almost quantitatively after 60 min is 90%. Compared with other SLM systems reported in the literature, the designed DES-SLM system exhibited suitable permeability and higher selectivity for Ag+ ion transport from aqueous solutions containing Fe2+, Mn2+, Cu2+, Ni2+, Pb2+, and Cd2+ as competing metal ions.

The sweetness response and thermophysical properties of glucose and fructose in the aqueous solution of some deep eutectic solvents at T= (288.15-318.15) K.

Thermophysical properties elucidate the sweetness response, taste quality and hydration characteristics of saccharides in the aqueous solutions and offer significant information for pharmaceutical and food industries. In this current work, the effect of some neoteric green solvents as named deep eutectic solvents (DESs) on the sweetness response, taste quality and hydration behavior of the glucose and fructose solutions have been investigated from apparent specific volumes ASV, apparent specific isentropic compressibility ASIC parameters. The standard partial molar volumes Vφ0, transfer apparent molar volumes ΔtrVφ0, partial molar isentropic compressibilities Kφ0, viscosity B-coefficients and molar refractions RD the aqueous solutions of saccharides in choline chloride (ChCl)-urea, ChCl-ethylene glycol (EG), dimethyl ammonium chloride (DMAC)-ethylene glycol as DESs have been calculated from measured density, speed of sound, viscosity and refractive index data at T= (288.15-318.15) K. The results indicated that glucose in the aqueous solutions of ChCl-urea has the strongest interactions and get stronger with increasing the concentration of DES and temperature. Interaction volume Vint and cavity volume Vcav have been computed from scaled particle theory (SPT).

Effect of ionic liquids 1-octyl-3-methyl imidazolium bromide or 1-octyl-3-methyl imidazolium chloride on thermophysical properties and taste behavior of sucrose in aqueous media at different temperatures: Volumetric, compressibility and viscometric properties.

The thermophysical properties and taste behavior of sucrose in aqueous ionic liquids {1-octyl-3-methyl imidazolium bromide and 1-octyl-3-methyl imidazolium chloride} solutions have been studied via volumetric, compressibility and viscometric properties at T = (288.15, 298.15, 308.15 and 318.15) K. The positive values of transfer volume and transfer partial molar isentropic compression indicated predominance of ionic-hydrophilic interactions in these systems. The calculated hydration number for sucrose demonstrated that dehydration of sucrose occurs in presence of both studied ionic liquids. Further, the effect of studied ionic liquids on the taste behaviour of sucrose has been discussed from ASV and ASIC parameters. Furthermore, interaction volume, Vint, and cavity volume, Vcav, have been computed from scaled particle theory (SPT).

Effect of Tetrabutylammonium Bromide-Based Deep Eutectic Solvents on the Aqueous Solubility of Indomethacin at Various Temperatures: Measurement, Modeling, and Prediction with Three-Dimensional Hansen Solubility Parameters.

Deep eutectic solvents (DESs) have recently been getting a great deal of attention in many fields of science and technology. The objective of this study was to peruse the solubility of indomethacin (IMC) as sparingly soluble drug in some tetrabutylammonium bromide (TBAB)-based DESs (TBAB/ethylene glycol and TBAB/glycerol). The shake flask method has been employed in this study at temperature ranges T = (298.15-313.15) K and atmospheric pressure (pP = 86.6 kPa). The results showed that the solubility of IMC in TBAB/ethylene glycol system was obtained approximately 17,000-fold more than its solubility in water. The solubility data were accurately correlated by the famous local composition activity coefficient models including e-NRTL and UNIQUAC. It was also our aim to evaluate Hansen solubility parameters in IMC solubility prediction. These parameters can help to predict the solvent performance during the manufacturing processes and will be useful in guessing solvent behavior in many other fields of effort. The experimental and the Hansen solubility parameters results are very well matched. In addition, the apparent thermodynamic properties of dissolution and mixing were studied in these solutions based on Van't Hoff and Gibbs equations.

Study of naproxen in some aqueous solutions of choline-based deep eutectic solvents: Solubility measurements, volumetric and compressibility properties.

Naproxen (NAP) is a widely used drug for the treatment of pain and inflammatory conditions. However, there is not the physicochemical information about this drug such as solubility, volumetric and compressibility properties in the presence of deep eutectic solvents (DES) as a new class of green solvents to overcome the low solubility of drugs. In this work, the solubility of NAP is studied in the solutions containing some choline chloride (ChCl) based DES at temperature ranges (298.15-313.15) K. The results indicate that the solubility increases with increasing the concentration of DES and temperature and DES containing malonic acid is the proper co-solvent. The experimental solubility values were correlated by the e-NRTL, Wilson and UNIQUAC models. In addition, the complex interactions between the components in the systems should be elucidated, therefore, the thermodynamic properties including volumetric and compressibility properties have been investigated using density and speed of sound measurements at T = 298.15 K. According to calculated thermodynamic parameters, strong interactions between NAP and DESs are observed which is in agreement with obtained solubility data.

Solubility, volumetric and compressibility properties of acetaminophen in some aqueous solutions of choline based deep eutectic solvents at T=(288.15 to 318.15) K.

Deep eutectic solvents (DESs) as a new class of green solvents have been used to overcome the low solubility of drugs during the recent years. In this work, the effect of some DESs containing choline chloride as hydrogen bond acceptor and urea, oxalic acid and malonic acid as hydrogen bond donors have been studied on acetaminophen (ACP) solubility at temperature ranges (298.15 to 313.15) K. The results indicate that the solubility of ACP increase with increasing concentration of DES and at higher temperatures and the DES containing malonic acid have a greater impact on the solubility of acetaminophen. The solubility data were correlated by the modified Apelblat, λh (Buchowski) and Yalkowsky models which Apelblat model is more consistent with experimental data. In addition, to elucidate the interactions between the components, the thermodynamic properties including volumetric, compressibility properties have been investigated using density and speed of sound measurements at T=(288.15 to 318.15K). The calculated thermodynamic parameters values confirm the strong solute - solvent interactions between ACP - DESs that is in agreement with solubility data.