Ternary System Research Articles

Ca/P in situ introduction for enhancing coating biocompatibility via plasma electrolytic oxidation in low-temperature molten salt.

Plasma electrolytic oxidation (PEO) is one of the most promising methods for synthesizing ceramic coatings on metallic substrates. Recently, PEO in molten salt electrolytes was found to be advantageous due to overcoming system heating and the formation of contaminants. However, the PEO in molten salt was conducted at a high temperature (Tm∼220 °C), limiting the introduction of different components such as Ca and P. This study realizes the employment of a low-temperature electrolyte based on a ternary eutectic system of Ca(NO3)2-NaNO3-KNO3 (Tm∼130 °C) jointly with the in situ introduction of Ca/P in the form of ammonium dihydrogen phosphate (ADP). The surface morphology, phase and chemical composition, wettability, and anti-corrosion performance were examined. The results indicate improved surface performance with the addition of 1 wt.% ADP to the electrolyte. This surface preferably comprises the anatase phase of TiO2 and exhibits enhanced biocompatibility and corrosion resistance in a biological environment.

Phase equilibria of the Nb–Si-Gd ternary system at 1273K

The phase equilibria of the Nb–Si-Gd ternary system at 1273K in all the composition ranges were investigated by X-ray diffraction (XRD), electron probe microanalysis (EPMA), and Scanning electron microscopy (SEM) equipped with Energy dispersive spectroscopy (EDS). The isothermal section comprises 12 single-phase regions, 22 two-phase regions, and 11 three-phase regions. The existing of Nb3Si phase was confirmed at 1273K by couple diffusion. A new ternary compound Gd2Nb3Si4 was discovered and its crystal structure was analyzed by the Rietveld method with Rwp = 2.11%, Rp = 1.54%, Rexp = 0.75%. It belongs to the space group P41212 (No.92) with the lattice parameter a = b = 6.99048Å, c = 12.94393Å, α = β = γ = 90°.

Terahertz fingerprint reveals the effect of alcohols on sodium ions hydration shell.

Ion hydration plays a crucial role in numerous fundamental processes. Various spectroscopic methods are employed to investigate the slowing down of hydration bond dynamics in the proximity of both anions and cations. To date, most of these studies have primarily focused on the properties of binary systems. However, in comparison to ion-water binary systems, ternary systems that involve ions, water, and organic matter are more prevalent in nature and provide more realistic insights into biological processes. This study focuses on ion hydration in water and alcohol mixture using terahertz spectroscopy and x-ray diffraction (XRD). The results reveal a distinct behavior depending on the type of alcohol used. Specifically, the presence of both methanol and ethanol results in the disappearance of absorption peaks associated with NaCl hydrate at low temperatures. In contrast, tert-butanol does not exhibit such an effect, and isopropanol demonstrates a more complex response. By combining these terahertz spectroscopic findings with low-temperature XRD data, we gain insights into the formation, or lack thereof, of NaCl · 2H2O hydrate crystals. Crucially, our observations suggest a dominant correlation between the polarity of the alcohol molecules and its impact on the Na+ hydration. Strongly polar alcohols preferentially solvating the Na+ ion lead to the failure of hydrate formation, while weakly polar alcohols do not have this effect.

H2 promotes the premature replacement of CH4–CO2 hydrate even when the CH4 gas-phase pressure exceeds the phase equilibrium pressure of CH4 hydrate

Submarine CO2 sequestration via solid hydrate has been considered a promising strategy for controlling greenhouse gas emissions. The simultaneous replacement of CH4 from subsea natural gas hydrates through buried CO2 offers a win-win approach. Utilizing H2 as an enhancer to promote CH4–CO2 hydrate replacement, coupled with integrating the replacement products into CH4 steam reforming for cyclic H2 production, presents a potential pathway for CO2 geological storage and eventual H2 recovery. However, the enhancement mechanism of H2 in the hydrate replacement process remains unclear. Focusing on the critical replacement condition, this study investigates the effects of gas-phase partial pressures on hydrate replacement in CH4-rich systems to elucidate the H2 influence mechanism. Remarkably, the results indicate, for the first time, that H2 induces premature CH4 hydrate dissociation under conditions exceeding the corresponding CH4 gas equilibrium pressure in CO2/CH4/H2 ternary gas systems. The critical condition for hydrate replacement depends on the total system pressure, rather than CO2 gas partial pressure. Additionally, in the CH4-rich systems, the driving force for CH4 hydrate decomposition takes precedence over that for hydrate reformation in controlling replacement. The replacement ratio increases from 16.7 % to 24.5 % as the CH4 partial pressure decreases from 2.01 MPa to 1.11 MPa at 274.15 K, despite simultaneous declines in both CO2 partial pressure and total system pressure from 1.70 MPa to 0.97 MPa and from 6.10 MPa to 3.39 MPa, respectively. These findings can provide insights into the improvement of CH4–CO2/H2 hydrate replacement efficiency and the development of oceanic CO2 sequestration.

The content optimization of supplementary cementitious materials in coral sand-seawater cement mortar: A focus on mechanical properties and transportation costs

This study examines how supplementary cementitious materials (SCMs) such as fly ash (FA), blast furnace slag (BFS), and metakaolin (MK) affect the mechanical properties and transportation costs of coral sand-seawater cement mortar (CSSC). The Dinger-Funk equation was used to obtain the most densely packed design and preparation of coral sand and cementitious materials. The mechanical properties of CSSC were assessed utilizing the RMT testing apparatus. A thorough examination of the mechanical properties and transportation costs of CSSC was undertaken using the principle of value engineering and the effectiveness coefficient approach. Research results show that BFS10 has outstanding mechanical qualities in the binary cementitious system. Within the ternary cementitious system, the mechanical qualities typically exceed those of the binary system, with FA15BFS15 demonstrating the highest performance. The best appropriate mix ratio is FA15BFS15, as determined by a thorough examination and cost-benefit analysis. This ratio offers temporal sensitivity and maximized transit capacity. The SVR model is highly proficient in forecasting the compressive strength of CSSC, showcasing accurate prediction and data interpretation abilities. The research findings provide practical evidence for optimizing the proportion of CSSC in calcium sulfoaluminate cement, considering transportation expenses and algorithm prediction needs.

Comments on “Fundamental properties and intermolecular interaction of triethylene glycol + ethylenediamine aqueous solution for CO2 capture”

A polemic is given regarding the volumetric properties that Wang and coworkers reported in their published paper. The tabulated excess molar volumes, Vex, reported by the authors are not the same values as graphically depicted in the paper. Our analysis of the experimental data indicated that the tabulated were likely calculated assuming a ternary system, while the graphically depicted values were likely calculated using a pseudo-binary system treatment. Similar inconsistences were noted between several of the tabulated and graphed viscometric properties in the published paper.

Preferential Solvation Phenomena as Solute-Induced Structure-Making/Breaking Processes: Linking Thermodynamic Preferential Interaction Parameters to Fundamental Structure Making/Breaking Functions.

In this work, we identify the explicit macroscopic-to-microscopic rigorous links between existing thermodynamic preferential interaction parameters and microstructural descriptors based on total correlation function integrals, leading to their unambiguous characterization in terms of fundamental structure making/breaking functions . First, we provide the statistics mechanical framework to identify a universal molecular-based signature for the preferential solvation phenomenon involving solutes at infinite dilution in mixed-solvent environments and discuss its fundamental properties. Then, we characterize the functions relevant to the process, identify the microscopic markers for the existing preferential interaction parameters in terms of the functions, and test their compliance with a pair of essential microstructural constraints linked to the properties of the universal signature. Moreover, we illustrate the analysis by probing the behavior of a representative ternary system comprising the solubility of methane in aqueous 1,4-dioxane mixed-solvent environments under ambient conditions. Finally, we discuss some relevant issues surrounding the statistical mechanical (microstructural) interpretation of the thermodynamic (macroscopic) preferential interaction parameters, review some pitfalls in their evaluation from molecular simulation, and provide an outlook.

Stretchable phosphorescent polymers by multiphase engineering

Stretchable phosphorescence materials potentially enable applications in diverse advanced fields in wearable electronics. However, achieving room-temperature phosphorescence materials simultaneously featuring long-lived emission and good stretchability is challenging because it is hard to balance the rigidity and flexibility in the same polymer. Here we present a multiphase engineering for obtaining stretchable phosphorescent materials by combining stiffness and softness simultaneously in well-designed block copolymers. Due to the microphase separation, copolymers demonstrate an intrinsic stretchability of 712%, maintaining an ultralong phosphorescence lifetime of up to 981.11 ms. This multiphase engineering is generally applicable to a series of binary and ternary initiator systems with color-tunable phosphorescence in the visible range. Moreover, these copolymers enable multi-level volumetric data encryption and stretchable afterglow display. This work provides a fundamental understanding of the nanostructures and material properties for designing stretchable materials and extends the potential of phosphorescence polymers.

Kirkwood-Buff Analysis of Binary and Ternary Systems Consisting of Alcohols (Methanol, Ethanol, 1-Propanol, and 2-Propanol), Water, and n-Hexane to Understand the Formation of Surfactant-Free Microemulsions.

Surfactant-free microemulsion (SFME) represents a class of fluid mixtures that can form microheterogeneous structures without detergents, offering an environmentally benign alternative to traditional microemulsions. However, the formation mechanism is still elusive. This work applies the Kirkwood-Buff theory to mixtures of alcohols, water, and n-hexane to elucidate the SFME formation mechanism. To ensure robust calculation of the Kirkwood-Buff integrals (KBIs), we construct a data set of densities and excess free energies of binary and ternary systems. Multiple excess Gibbs free energy models are assessed against this data set to select the most suitable model reproducing the experimental results. In addition, we introduce statistical methods to determine the optimal polynomial order of the Redlich-Kister correlation for the excess volume data. We first validate our methodology in binary systems. Then, we extend the calculation method to ternary mixtures. The KBI calculation results reveal that the alcohol-hexane and water-hexane interactions do not significantly affect SFME formation. In contrast, the interplay among water-water, water-alcohol, and alcohol-alcohol interactions critically influences the ability of a liquid mixture to form SFME structures. SFME systems exhibit the facile formation of water aggregates enveloped by alcohols, whereas non-SFME systems demonstrate homogeneous alcohol/water droplets dispersed in an oil continuous medium.

Calculation of Gibbs Free Energy of Iron Based Alloys Using Miedema's Model and Comparison with Experiment

Calculation of Gibbs Free Energy of Iron Based Alloys Using Miedema's Model and Comparison with Experiment

Asymmetric C–H Dehydrogenative Alkenylation via a Photo-induced Chiral α‑Imino Radical Intermediate

The direct alkenylation with simple alkenes stands out as the most ideal yet challenging strategy for obtaining high-valued desaturated alkanes. Here we present a direct asymmetric dehydrogenative α-C(sp3)-H alkenylation of carbonyls based on synergistic photoredox-cobalt-chiral primary amine catalysis under visible light. The ternary catalytic system enables the direct coupling of β-keto-carbonyls and alkenes through a cooperative radical addition-dehydrogenation process involving a chiral α-imino radical and Co(II)-metalloradical intermediate. A catalytic H-transfer process involving nitrobenzene is engaged to quench in situ generated cobalt hydride species, ensuring a chemoselective alkenylation in good yields and high enantioselectivities.

Ternary systems engineered conductive hydrogel with extraordinary strength, environmental adaptability and excellent electrochemical performances for flexible power supply devices

The easy failure, poor environmental adaptability and unsatisfactory electrochemical performances of hydrogels hinder their applications as key components of flexible power supply devices (PSDs). Herein, a PAA-based hydrogel with extraordinary strength and environmental adaptability is designed via a ternary system, consisting of the tannin-modified MXene (TA@MXene), ZnCl2-cellulose and malic acid (MA) electrolyte. The TA@MXene and ZnCl2-cellulose promote the crosslinking of hydrogel via forming multi networks, endowing the hydrogel with 1.9 MPa tensile strength and 620 % stretchability. Furthermore, the hydrogel has 38.4 mS·cm−1 conductivity, thanks to the effective ion transfer channels in the hydrogel. The MA electrolyte provides a stable pH environment via forming an acid ionization system; also, MA and the high-concentration ZnCl2 solution enhance their electrochemical performance at extreme environments. Three typical PSDs were assembled using the resultant hydrogel as electrolyte/electrode. The as-prepared supercapacitors display a high specific capacity (173.5 mAh·g−1), a superior energy density (208.2 Wh·kg−1) and outstanding capacity retention (92.1 % after 5000 cycles); flexible batteries efficiently respond to strain signals, with 0.77 V open-circuit voltage (Voc); the as-assembled TENG has a 110 V Voc (100 % stretching deformation). We present a design strategy for the construction of advanced hydrogels based a ternary system that will promote flexible PSDs towards practical use.

Liquid–Liquid Equilibrium Behavior of Ternary Systems Comprising Biodiesel + Glycerol and Triglyceride + Methanol: Experimental Data and Modeling

Having a comprehensive knowledge of phase equilibrium is advantageous for industrial simulation and design of chemical processes. For further acquisition of primary data to facilitate the separation and purification of waste oil biodiesel systems, a liquid–liquid equilibrium (LLE) tank is deployed for the ternary system of waste oil biodiesel + methanol + glycerin, thereby enhancing the precision and efficiency of the process. The phase equilibrium system was constructed under the influence of atmospheric pressure at precise temperatures of 303.15 K, 313.15 K, and 323.15 K. The equilibrium components of each substance were analyzed by employing high-temperature gas chromatography, a sophisticated analytical method that enables the identification and quantification of individual components of a sample. Moreover, the ternary liquid–liquid equilibrium data were correlated by implementing the NRTL and UNIQUAC activity coefficient models. Subsequently, the binary interaction parameters of the ternary system were derived by conducting regression analysis. The experimental data demonstrated that the presence of lower methanol content in the system resulted in nearly immiscible biodiesel and glycerol phases, which ultimately facilitated the separation of biodiesel and glycerol. Conversely, with the increase in methanol content, the mutual solubility of biodiesel and glycerol was observed to increase gradually. The results showed that the calculated values of the NRTL and UNIQUAC models aligned well with the experimental values. The root-mean-square deviations of the NRTL and UNIQUAC models at 313.15 K were 2.76% and 3.56%, respectively.

Multi-scale study on strength development, hydration behavior and phase evolution of recycled powder multi component cementitious materials

Recycled powder (RP) is considered to be a successful low-carbon alternative to ordinary Portland cement (OPC). However, the microstructure and synergistic mechanism of RP multi-component cementitious materials (RP-MCCM) after physical activation are still unclear. The purpose of this study is to study the strength development, hydration and phase structure evolution of MCCM by constructing RP-MCCM. When the content of RP after grinding activation is 30% (C70RG30), its 28 days compressive strength is increased by 7.6% on the basis of non-activation. Compared with the ternary system of RP and FA mixed with 15% (C70RG15F15), its 28 days compressive strength increased by 8.08%. After RP incorporation, the Al-OH is enhanced, the C-O and CO32- bonds peaks become narrower, and the S is evenly distributed, which is beneficial to the increase of the AFt and the CaCO3 content, but weakens the C-S-H and C-A-H phases. In the C70RG15F15 ternary system, CaCO3, Ca(OH)2, and SiO2 nanostructures are tightly bonded together without obvious faults, which improves the structural compactness and strength. RP grinding activation is mainly manifested in surface improvement, internal C-S-H activation and increase of active sites.

Atomistic molecular dynamics simulation and COSMO-SAC approach for enhanced 1,3-propanediol extraction with imidazolium-based ionic liquids.

1,3-Propanediol (1,3-PDO) is a key chemical in various industries, including pharmaceuticals and material sciences, and is projected to see significant market growth. However, the current challenges in its downstream processing, particularly in terms of cost and efficiency, highlight the need for innovative solutions. Our study delves into using ionic liquids (ILs) as a potential alternative, aiming to address these critical separation challenges more sustainably and efficiently. In this study, we utilized molecular dynamics (MD) simulations and the COSMO-SAC to examine 1,3-propanediol (1,3-PDO) extraction using four imidazolium-based ionic liquids with 1-butyl-3-methylimidazolium [Bmim] cation and with different anions bis(pentafluoroethanesulfonyl)imide [NPF2]-, bis(trifluoromethylsulfonyl)imide [NTF2]-, thiocyanate [SCN]-, and trifluoromethanesulfonate [TFO]-. Molecular dynamics simulations, incorporating analysis of radial distribution functions (RDF) and spatial distribution functions (SDF), revealed that [Bmim][SCN] and [Bmim][TFO] exhibit enhanced interactions with 1,3-PDO. Notably, [Bmim][SCN] formed the most hydrogen bonds, averaging 1.639 per molecule, due to its coordinating [SCN]- anion. This was in contrast to the fewer hydrogen bonds formed by non-coordinating anions in [Bmim][NPF2] and [Bmim][NTF2]. In ternary systems, [Bmim][SCN] and [Bmim][TFO] demonstrated superior selectivity for 1,3-PDO extraction compared to the other ionic liquids, with selectivity values around 29. These findings, supported by COSMO-SAC predictive modeling, highlight the potential of [Bmim][SCN] as a promising candidate for 1,3-PDO extraction, emphasizing the importance of anion selection in optimizing ionic liquid properties for this application. In our study, we employed MD simulations, incorporating the OPLS-AA force field, and COSMO-SAC to investigate the extraction of 1,3-PDO using imidazolium-based ionic liquids: [Bmim][NTF2], [Bmim][NPF2], [Bmim][SCN], and [Bmim][TFO]. The MD simulations were conducted using LAMMPS software, focusing on elucidating the RDF, SDF, and hydrogen bonding. Analysis of the distribution coefficient (β) and selectivity (S) for the ternary mixture was also conducted. These aspects of the simulation were analyzed using TRAVIS and VMD software. Additionally, the COSMO-SAC model was employed to determine the activity coefficients of 1,3-PDO in the ionic liquids, with molecular optimization conducted using Gaussian16 and sigma profile calculations performed using COSMO-SAC.

Vacancy-Defect Ternary Topological Insulators Bi2Se2Te Encapsulated in Mesoporous Carbon Spheres for High Performance Sodium Ion Batteries and Hybrid Capacitors.

Ternary topological insulators have attracted worldwide attention because of their broad application prospects in fields such as magnetism, optics, electronics, and quantum computing. However, their potential and electrochemical mechanisms in sodium ion batteries (SIBs) and hybrid capacitors (SIHCs) have not been fully studied. Herein, a composite material comprising vacancy-defects ternary topological insulator Bi2Se2Te encapsulated in mesoporous carbon spheres (Bi2Se2Te@C) is designed. Bi2Se2Te with ample vacancy-defects has a wide interlayer spacing to enable frequent insertion/extraction of Na+ and boost reaction kinetics within the electrode. Meanwhile, the Bi2Se2Te@C with optimized yolk-shell structure can buffer the volume variation without breaking the outer protective carbon shell, ensuring structural stability and integrity. As expected, the Bi2Se2Te@C electrode delivers high reversible capacity and excellent rate capability in half SIB cells. Various electrochemical analyses and theoretical calculations manifest that Bi2Se2Te@C anode confirms the synergistic effect of ternary chalcogenide systems and suitable void space yolk-shell structure. Consequently, the full cells of SIB and SIHC coupled with Bi2Se2Te@C anode exhibit good performance and high energy/power density, indicating its widespread practical applications. This design is expected to offer a reliable strategy for further exploring advanced topological insulators in Na+-based storage systems.

Experimental Investigation of Phase Equilibria in the Al–Mo–Hf Ternary System at 400 °C and 600 °C

This study investigates the phase equilibria of the Al-Mo-Hf ternary system at 400 °C and 600 °C using X-ray diffraction (XRD) and electron probe microanalysis (EPMA/WDS) techniques. Seven three-phase and five two-phase regions were identified at 400 °C, while eight three-phase and four two-phase regions were identified at 600 °C. Despite variations in the solid solubility ranges of certain compounds, the distribution of phase zones in the isothermal cross-section remained consistent at both temperatures. Using the experimental results and logical deductions, isothermal cross-sections were constructed for the Al-Mo-Hf ternary system at 600 °C and 400 °C.

Investigation of structural, thermo–electrical, and morphological features of the (Bi2O3)1–x–y (Tm2O3)x (Yb2O3)y ternary systems for intermediate temperatures

In this paper, the (Bi2O3)1–x–y (Tm2O3)x (Yb2O3)y ternary systems were successfully synthesized by the solid–state reaction method under air conditions. All powder compositions were then heat treated for 100 h at 750 °C to allow for partial substitution of dopant cations, Tm3+ and Yb3+, between host Bi3+ cations. Characterizations of fabricated compositions were carried out by XRD, TG and DTA, FPPT, and FE–SEM techniques. Stacked XRD patterns verified that all compositions included solely single–phase peaks, with the exception of Bi0.92Tm0.04Yb0.04O1.5–δ and Bi0.88Tm0.04Yb0.08O1.5–δ, whose patterns suggested mixed phases. The DTA curves, depending on temperature, detected the endothermic peaks at around 600 °C, implying that an order–disorder transition occurs in the anion sublattice of the doped crystal. At 700 °C, the conductivity of the Bi0.88Tm0.08Yb0.04O1.5–δ system was found to be 0.432 S/cm, surpassing the conductivity of a single–doped (Bi2O3)0.80 (Er2O3)0.20 system, which had a value of 0.37 S/cm at the same temperature.

An eco-efficient dual-function technology: Magnetically recoverable rGO-WO3/Fe3O4 ternary heterojunction catalytic system simultaneously performing malachite green photolysis and Cr(VI) reduction

This study focuses on developing a system that efficiently removes two contaminants simultaneously: malachite green (MG), an organic dye, and chromium (Cr) ions, which are used as oxidizing agents in the dyeing process. A dual-functional heterojunction photocatalyst was prepared by combining tungsten oxide (WO3, the main photocatalyst) and iron oxide (Fe3O4, a visible light absorber) on a reduced graphene oxide (rGO) support. The 10% rGO-WO3/Fe3O4 catalyst decomposes malachite green in 6 h and reduces Cr(VI) to Cr(III) in 2 h (both at 100 ppm). A mixed solution of MG and Cr(VI) required treatment for only 2 h, showing that the intermediates generated during the reaction positively synergized with each other. Here, the junction of WO3 and Fe3O4, which strongly induces a Z-scheme charge transfer, facilitates photo-charge separation and suppresses exciton recombination. The rGO extended the photocatalytic activity while continuously supplying electrons to the valence band of WO3. Finally, the rGO-WO3/Fe3O4 catalyst was completely recovered after the reaction using a magnet. Ultimately, this system will be useful for the quick, clean, and safe treatment of wastewater containing toxic heavy metals and organic pollutants.

Phase behavior of supercritical CO2 + nonionic ethoxylated surfactants + methanol: Experimental data and modeling with PC-SAFT equation of state

The use of surfactants for oil and gas purposes has been explored and extensively applied. However, such systems' thermodynamic and predictability behavior still needs further investigation. This work aims to describe the phase behavior of the systems composed of nonionic ethoxylated surfactants (nonylphenyl ethoxylated surfactants—IGEPAL CO-630 and CO-720) + carbon dioxide (CO2) with additional methanol in wide ranges of temperature (T = 313 to 413 K), pressure (P = 0.8 to 54.8 MPa), and CO2 molar compositions (up to 90.0 %). It was observed for all systems studied that CO2 solubility was inversely proportional to temperature and the number of ethoxylated units for pure surfactants. The addition of methanol greatly increases the overall CO2 solubility. The thermodynamic modeling through the PC-SAFT equation of state was also evaluated. Bubble pressure deviations of 13.63 % and 13.49 % were obtained for pure IGEPAL CO-630 and IGEPAL CO-720 + CO2, respectively, and 12.63 % for the ternary system (IGEPAL CO-720 + methanol + CO2). A new set of binary interaction parameters was also provided for IGEPAL CO-630 and IGEPAL CO-720 + CO2.