Entire Composition Research Articles

Symmetric sandwich–like rubber composites for “green” electromagnetic interference shielding and thermal insulation

Electromagnetic interference (EMI) shielding rubber composites with thermally insulating properties are necessary for some specific sealing fields, but their fabrication is challenging because it is difficult to realize a balance between high electrical conductivity and low thermal conductivity. Herein, symmetric sandwich–like rubber composites composed of an unfoamed core sandwiched by two foamed layers were prepared using a layer-by-layer vulcanization procedure. Importantly, a segregated Fe3O4@carbon nanotube (Fe3O4@CNT) network was constructed within the entire composite. This structure improved the shielding effectiveness (SE) and decreased the thermal conductivity of Fe3O4@CNT/rubber composites. When the density of the foamed layers was 0.60 g/cm3, the thermal conductivity, electrical conductivity, and SE of the resultant composites were 0.14 W/m K, 21.5 S/m, and 40.7 dB, respectively, and their green index (gs) was 2.13, implying that the prepared materials were “green” EMI-shielding composites. This study provides directions on fabricating EMI shielding materials with thermally insulating performance.

Performance and mechanism of the structure formation and physical-mechanical properties of concrete by modification with nanodiamonds

Nanomodifying additives in the building materials production is a relevant and widely studied topic in current building materials science. Nanodiamonds are used in various fields of science and technology. However, they were not used as a modifying additive in the production of building composite materials. The purpose of this study is to investigate the mechanism of interaction of chemically pure cavitation synthesis nanodiamonds (КНА-НС) with cement concrete on the structure formation and mechanical properties of fresh and hardened concrete. These KHA-HC nanodiamonds are carbon sp3 hybridized nanoparticles with a diamond-like structure and a particle size in a cross section of not more than 3 nm, shaped close to spherical and a clear mono modal distribution throughout the entire fractional composition, with a maximum of 1 nm to 3 nm. During the research, the initial components were selected, the compatibility of these components was checked, including the formation of test samples, the properties of fresh concrete, the density of hardened concrete, compressive and flexural strength at various ages of hardening (2, 7, 14 and 28 days) were studied using standard methods, and X-ray diffraction and scanning electron microscopy of concrete were also carried out. It has been established that the addition of KHA-HC accelerates the process of concrete strength gain. The greatest effect was recorded for concrete aged 2 days. With an optimal KHA-HC content of 0.4 %, the increases in compressive and flexural strength were 28.6 % and 26.1 %, respectively. The addition of KHA-HC in all considered ranges from 0.1 % to 1.0 % has a positive effect on the strength properties of concrete. The most effective dosage is 0.4 %. The increases in compressive and flexural strength of concrete at an age of 28 days were 15.1 % and 15.7 %, respectively. Nanomodification of concrete with the KHA-HC additive does not affect the phase composition of concrete. The effect of “self-reinforcement of cement matrix” put forward in this study is confirmed by images of the microstructure of the cement matrix with a large accumulation of calcium hydrosilicate zones.

Phase stability of solid solution La1-xRxRh3B (R = Gd, Lu and Sc) compounds with cubic anti-perovskite type structure

We have investigated the solid solution range of single phase La1-xRxRh3B (R = Gd, Lu and Sc) compounds with a cubic anti-perovskite type structure. The behaviors of lattice parameters, hardness, and thermogravimetry–differential thermal analysis (TG-DTA) were also investigated. The cubic anti-perovskite phase exists over the entire composition range x from 0.0 to 1.0 for all La-Gd, La-Lu and La-Sc systems. Both the lattice parameters and the hardness in all La-Gd, La-Lu and La-Sc systems show a linear dependence on the degree of the substitution x of La atom. The results of TG-DTA measurements indicate that oxidation of the compounds in air begins at about 500–600 K. The mixed phases of RBO3, R2O3 and Rh are identified as oxidized products around x = 0.4 to 0.6 composition. The oxidation onset temperature, and weight gains due to the oxidation depend on the degree of substitution x. The behavior of crystallographic and physical/chemical properties in the present compounds La1-xRxRh3B strongly depend on the atomic size of the rare-earth atoms that form the cubic framework.

Bandgap Characteristics of Boron-Containing Nitrides—Ab Initio Study for Optoelectronic Applications

Hexagonal boron nitride (h-BN) is recognized as a 2D wide bandgap material with unique properties, such as effective photoluminescence and diverse lattice parameters. Nitride alloys containing h-BN have the potential to revolutionize the electronics and optoelectronics industries. The energy band structures of three boron-containing nitride alloys—BxAl1−xN, BxGa1−xN, and BxIn1−xN—were calculated using standard density functional theory (DFT) with the hybrid Heyd–Scuseria–Ernzerhof (HSE) function to correct lattice parameters and energy gaps. The results for both wurtzite and hexagonal structures reveal several notable characteristics, including a wide range of bandgap values, the presence of both direct and indirect bandgaps, and phase mixing between wurtzite and hexagonal structures. The hexagonal phase in these alloys is observed at very low and very high boron concentrations (x), as well as in specific atomic configurations across the entire composition range. However, cohesive energy calculations show that the hexagonal phase is more stable than the wurtzite phase only when x > 0.5, regardless of atomic arrangement. These findings provide practical guidance for optimizing the epitaxial growth of boron-containing nitride thin films, which could drive future advancements in electronics and optoelectronics applications.

Composition-dependent diffusion and viscosity behavior in liquid Ti–Al–Ni ternary alloys

We conducted ab initio molecular dynamics simulations to investigate the dynamic properties of the liquid Ti–Al–Ni ternary alloy system at 2033 K. Through simulations across the entire composition range, we revealed the complex compositional dependence of self-diffusion coefficients and viscosity. The self-diffusion coefficients of Ti, Al, and Ni exhibit nonlinear distribution characteristics, while viscosity shows non-monotonic compositional dependence, with lower viscosity in Al-rich regions and higher viscosity in Ni-rich regions. To understand the structural origins of these behaviors, we analyzed chemical short-range order and local fivefold symmetry structures using Warren-Cowley parameters and fivefold symmetry parameters, uncovering a close correlation between atomic-scale structural features and dynamic properties. Evaluation of the Stokes-Einstein relation revealed varying degrees of deviation from its predicted viscosity values across composition regions. We observed a negative correlation between free volume fraction and viscosity, with varying strengths in different regions. These findings provide new perspectives for understanding the complex dynamic properties of Ti–Al–Ni liquid alloys.

Influence of Composition on Mechanical Properties and Sound Speed of AlAs1−xPx for Various Pressures

The mechanical properties of AlAs1−xPx alloy under the influence of composition have been determined. The sound speed of AlAs1−xPx has been determined at various compositions. The studied properties were obtained with the effect of composition at various pressures. The predicted values were consistent with the available experimental results. The investigation used empirical method calculations based on empirical pseudo potential theory (EPM) with the virtual crystal approximation (VCA) to broaden the applications of ternary alloys and better investigate their potential as novel materials. AlAs1−xPx is a material that shows promise for usage in multi-junction solar cell designs because its properties can potentially be adjusted. The mechanical stability of AlAs1−xPx alloys was obtained according to these conditions C11 + 2C12 > 0, C44 > 0, and C11-C12 > 0. The obtained anisotropy factor was not equal to 1, indicating the presence of elastic anisotropy in the studied alloy in the applied composition range. The AlAs1−xPx alloy is a ductile material throughout the entire composition range at various pressures due to the Bu/Cs values exceeding 1.75.

Effect of Gadolinium Doping on the Structure of Ce1-xGdxO2-x/2 Solid Solutions Prepared by Ionic Gelation Approach

The current research aims to present the structural characterization of Gd-doped ceria powders and ceramics, investigating the structural evolution resulting from cerium substitution with Gd across the entire composition range from 0 to 100 mol.% Gd2O3. Ce1-xGdxO2-x/2 powders with varying Gd contents (0 ≤ x ≤ 1) were synthesized using the ionic gelation method followed by thermal annealing. The resulting powders were subjected to high-temperature treatment to obtain ceramics. Characterization methods included X-ray diffraction (XRD) to identify phase composition and confirm the formation of Ce1-xGdxO2-x/2 solid solutions, infrared spectroscopy (IR) and scanning electron microscopy (SEM) for structural and morphological studies, and X-ray photoelectron spectroscopy (XPS) to evaluate the electronic structure. Comparative analysis of Gd-doped calcined powders and sintered pellets revealed the impact of thermal treatment on the structural features of the resulting solid solutions, elucidating the influence of gadolinium substitution. The novelty of this research lies in demonstrating the successful preparation of Ce1-xGdxO2-x/2solid solutions via an alginate-mediated ion-exchange process and providing a detailed structural investigation over the entire range of dopant concentrations. This assessment highlights the feasibility for further research of these materials as suitable candidates for intermediate-temperature solid oxide fuel cells (IT-SOFCs) or catalyst applications. Doi: 10.28991/ESJ-2024-08-05-01 Full Text: PDF

Experimental investigation and thermodynamic description of the Ni-Mo-Y ternary system

Nickel-based superalloys are extensively utilized in aerospace engines, marine gas turbines, and other environments with severe operating conditions. The phase relations of the Ni-Mo-Y ternary system were experimentally studied across the entire composition range at 800 °C and 1000 °C using scanning electron microscopy (SEM) coupled with energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD). Thirteen three-phase regions were confirmed at 800 °C, and eleven three-phase regions were observed at 1000 °C. No ternary compound was observed at these temperatures. In addition, the experimental results indicate that molybdenum (Mo) has almost no solubility in the binary compounds found in the Ni-Y binary system. Furthermore, the primary solidification phases and the solidification process of typical alloys were investigated, and three different primary solidification phases were found. Based on the experimental results, thermodynamic calculations for the Ni-Mo-Y system were performed through the CALPHAD technique. The experimental results agree well with the calculated, a set of self-consistent thermodynamic parameters for the Ni-Mo-Y ternary system was obtained in the present work.

Thermo physical, spectroscopic and computational investigation of binary liquid mixtures at various temperatures and correlation with the Jouyban–Acree model (allyl alcohol, ethanoic acid, propanoic acid, and butanoic acid)

ABSTRACT The intermolecular interactions between allyl alcohol + short carboxylic acids (ethanoic acid, propanoic acid, and butanoic acid) binary liquid systems were studied both at the macro- and microscopic levels using a combined experimental and computational methodology. Thermo-physical properties of allyl alcohol and short carboxylic acids binary mixtures are studied at ambient atmospheric pressure over the entire composition range and at T= (303.15 K − 313.15 K). In the present study, the calculated excess/deviation properties are discussed in terms of molecular interactions of binary mixtures. The existence of the hydrogen bonding in the binary mixtures of allyl alcohol + short carboxylic acids were further confirmed by high level theoretical calculation, namely, the density functional theory (DFT-B3LYP) of 6–311++G (d,p) basis set was used to study the geometries, bond characteristics, interaction energies and of the hydrogen bonded complexes in gas phase were investigated via quantum chemical calculations

Thermodynamic and transport properties of binary mixtures containing 1,2-propanediol with 2-methoxyethanol and 2-ethoxyethanol at different temperatures

In the present investigation density, speed of sound, and viscosity have been reported for binary liquid mixtures of 1,2-propanediol (1,2-PD) with 2-methoxyethanol (2-ME) and 2-ethoxyethanol (2-EE) over the entire composition range at T= (298.15–323.15) K. From the experimental data, excess molar volume, (VmE), excess isentropic compressibility, (κsE), excess molar isentropic compressibility, (κs,mE), excess speed of sound, (uE), excess isobaric thermal expansion,αpE, and deviation in viscosity (Δη) of liquid mixtures have been calculated. The excess partial molar volume,V¯m,1E, V¯m,2E , excess partial molar isentropic compressibility, K¯s,m,1EK¯s,m,2E over the whole composition range together with partial molar volume,V¯m,10, V¯m,20, partial molar isentropic compressibility K¯s,m,10,K¯s,m,20, excess partial molar volume,V¯m,10E, V¯m,20E and excess partial molar isentropic compressibility, K¯s,m,10E,K¯s,m,20E at infinite dilution have also been calculated. All excess properties have been correlated using the Redlich-Kister smoothing polynomial equation. The VmE results are analysed in the light of Prigogine-Flory-Patterson theory. Analysis of each of the three contributions viz. interactional, free volume, and P* to VmE has shown that interactional contribution and free volume effect are negative for all the mixtures, and P* contribution is positive for the mixtures of 2-ME. The variations of these parameters with changes in composition and temperature have been discussed in terms of intermolecular interactions prevailing in these mixtures. Further, the viscosities of these binary mixtures were correlated theoretically by using various empirical and semi-empirical models and the results were compared with the experimental findings.

Insight into molecular interactions prevailing in N,N-dimethylformamide + alkyl acrylates mixtures at different temperatures: An experimental and theoretical investigation

The excess isentropic compressibility, excess speed of sound, excess molar isentropic compressibility and deviation in viscosity were evaluated from the experimental values of speeds of sound and viscosities of N,N-dimethylformamide + methyl acrylate/ethyl acrylate/n-butyl acrylate binary mixtures over the entire composition range at temperatures (288.15–318.15) K and pressure (101 kPa). Further, the partial molar isentropic compressibility; excess partial molar isentropic compressibility of the components over the entire composition range and also at infinite dilution have been calculated. These evaluated parameters have been interpreted in relations to prevailing interactions in these mixtures. These interactions were found dependent on the size of alkyl group in acrylate molecules and the amide-acrylate interactions decline with increase in size of the alkyl group. Moreover, the speeds of sound for the mixtures were calculated by scaled particle theory and the results compared well with the experimental results. Also, the viscosities of these mixtures were correlated by means of various empirical relations and the results were found in good agreement with the experimental results.

Retention factor variation on wide range of mobile phase compositions in reversed-phase high-performance liquid chromatography; a short tutorial

Mobile phase composition remains the major experimental parameter influencing the separation process in reversed-phase high-performance liquid chromatography (RP-HPLC). Its influence on the retention of solutes is explained by the Hildebrand solubility parameter and solvophobic theory, which also considers molecular characteristics of the participants in a separation process. The main empirical dependences (linear and polynomial) between the retention factor and the composition of mobile phase (retention function) are discussed taking into consideration a wide range of mobile phase compositions. Two direct chromatographic indices are resulting from these equations: the extrapolated value of retention factor for zero organic content in mobile phase composition (log kw) and the solvent strength parameter (S), which for a linear retention function is its slope being constant over the entire mobile phase compositions. Another chromatographic index could result from the retention function for zero content of water in mobile phase, but this situation can be applied only for very hydrophobic solutes. For large domains of mobile phase composition, the retention function cannot be described by a single type of dependence. This explains the paradox of generating by extrapolation different logkwvalues for different organic components. For the mobile phase close to pure water the retention function is different from that at average water concentration.

Copper‐Cobalt Bimetallic Nanoparticles for the Acceptorless Dehydrogenation of Alcohols: A Combined Experimental and Theoretical Study

AbstractBimetallic Cu and Co nanoparticles were prepared using the polyol process. The nature of the polyol was found to be decisive to control the distribution of the two metals within the particles, resulting in either core‐shell or quasi‐alloyed structures, as shown by chemical analysis at the single particle level. The particles can be prepared over the entire composition range with a very good control of the Cu/Co molar ratio. The introduction of Cu in the synthetic system allows decreasing significantly the mean size of the resulting particles. The two sets of particles were used as unsupported catalysts for the solvent‐free acceptorless dehydrogenation of octan‐2‐ol. Very good ketone yields were measured when using the quasi‐alloyed particles while lower activities were obtained with core‐shell structures. The Cu25Co75 quasi‐alloyed catalyst could be recycled at least ten times without a significant loss in catalytic activity and particle‐scale chemical analyses confirmed that the recovered particles are still alloyed with no observed demixing. The catalytic results are discussed in the light of different exposed metal surface areas and possible synergetic effects using theoretical predictions.

Are we approaching the development of a novel calcium phosphate-based bioceramic dental material?

ObjectivesDevelop a sustainable bovine hydroxyapatite dental ceramic with the addition of titanium dioxide (TiO2) nanoparticles (5 % and 8 % by weight), analyzing the outcome of this addition to the microstructure, as well as its mechanical and chemical properties, in order to evaluate whether they satisfy the International Organization for Standardization (ISO) 6872:2015 for dental ceramics or not. MethodsDisks were obtained through uniaxial followed by isostatic pressing from bovine hydroxyapatite powder and TiO2 nanoparticles and sintered at 1300ºC for 2 h. Three experimental groups were developed (HA, HA+5 %TiO2 and HA+8 %TiO2) and subjected to X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), indentation fracture (IF), biaxial flexural strength (BFS) and chemical solubility test. ResultsXRD revealed, for HA group, the appearance of a peak corresponding to b-tricalcium phosphate (ß-TCP). For HA+ 5 %TiO2 and HA+ 8 %TiO2, the entire composition was converted into ß-TCP and calcium titanate (CaTiO3). The SEM images showed a dense ceramic matrix and a uniform distribution of another phase in groups with TiO2 nanoparticles. HA+ 5 %TiO2 (1.40 ± 0.18 MPa.m1/2) and HA+ 8 %TiO2 (1.32 ± 0.18 MPa.m1/2) showed significantly higher fracture toughness values than HA (0.67 ± 0.09 MPa.m1/2). HA showed significantly higher characteristic stress (295.8 MPa) in comparison to groups with 5 % (235.1 MPa) and 8 % (214.4 MPa) TiO2 nanoparticles. Differences were not observed between the Weibull modulus values. The solubility results indicated that all experimental ceramics were above the 2000 ug/cm2 limit set by the ISO 6872:2015. SignificanceThis study proposed the development and characterization of a new ceramic for dental prosthesis made from HA extracted from bovine bones, with the intention of reusing these solids waste and transforming them into a sustainable and low-cost material. Although the experimental calcium phosphate ceramic with additions of 5 % and 8 % of TiO2 achieved desirable mechanical properties, the chemical solubility values were very high.

Excess acoustic and volumetric properties of polyethylene glycol 200 + methyl/ethyl methacrylate binary mixtures at different temperatures: An experimental and theoretical study

The excess and partial molar properties of binary liquid mixtures can be used to unveil the prevailing intermolecular interactions. The densities, ρ and speeds of sound, u for pure polyethylene glycol 200 (PEG 200), methyl methacrylate, ethyl methacrylate and their binaries (PEG 200 + methyl/ethyl methacrylate) have been measured over the entire composition range in the temperature range (293.15 to 323.15) K at 5 K intervals and at pressure, p = 100 kPa. The excess molar volume, excess isentropic compressibility, excess speed of sound, excess intermolecular free length, excess molar isentropic compressibility and excess acoustic impedance were evaluated using the experimental data. The partial and excess partial molar volumes/compressibilities of the components at each mole fraction and at infinite dilution have also been calculated. The results have been interpreted on the basis of prevailing intermolecular interactions as well as structural effects between like and unlike molecules. The results indicate the effect of the size of alkyl group on excess functions and interactions in these systems and the PEG-methacrylate interactions follow the order: methyl methacrylate > ethyl methacrylate. Scaled particle theory has also been used for the theoretical estimation of the speeds of sound and compared with experimental values. FT-IR spectra of pure PEG 200, methyl methacrylate, ethyl methacrylate and equimolar PEG 200 + methyl methacrylate/ethyl methacrylate mixtures were also recorded and analysed for better understanding of prevailing intermolecular interaction.

Physico-chemical studies of non-aqueous binary liquid mixtures of N-methyl aniline with amino alcohols at various temperatures

ABSTRACT Densities (ρ), speeds of sound (u) and viscosities (η) for three binary mixtures of N-methyl aniline with amino alcohols (3-amino-propan-1-ol, 2-amino-2-methyl-propan-1-ol and 1-amino propan-2-ol) were measured at temperatures ranging from 303.15 to 313.15 K and at atmospheric pressure across the entire composition range. Excess molar volume, excess isentropic compressibility, deviation in viscosity, and excess Gibbs free energy of activation of viscous flow were calculated using experimental data. Partial molar properties and infinite dilution molar partial properties were also determined for each binary system. The Prigogine-Flory-Patterson theory is used to identify the most important interaction. The results of the Jouyban-Acree model are discussed in terms of the mean relative deviation and individual relative deviation between the calculated and experimental densities, speed of sound, and viscosities as an accuracy criterion. FTIR studies have also been added to confirm the experimental findings of the investigated mixtures.

Volumetric and ultrasonic studies of molecular interactions in binary mixtures of N,N-dimethylacetamide with some polyethylene glycols at temperatures from 293.15 to 323.15 K

The intermolecular interactions in N,N-dimethylacetamide (DMA) + polyethylene glycol (PEG) mixtures have been examined from the measurements of the densities, ρ and speeds of sound, u of DMA + PEG 200 or PEG 300 or PEG 400 or PEG 600 mixtures over the entire mole fraction range at temperatures, T = (293.15–323.15) K and atmospheric pressure. Various excess parameters, viz., excess molar volume, excess isentropic compressibility, excess intermolecular free length, excess speed of sound, excess molar isentropic compressibility and excess acoustic impedance were evaluated using measured data. These excess properties were correlated with the Redlich–Kister equation. In addition, the partial molar volume and compressibility; excess partial molar volume and compressibility of the components over the entire composition range; and partial molar volume and compressibility and excess partial molar volume and compressibility of the components at infinite dilution have also been calculated. These evaluated parameters have been interpreted by means of prevailing intermolecular interactions in these mixtures. The presence of strong intermolecular interactions among DMA and PEG molecules have been revealed from the evaluated parameters of these mixtures. The speeds of sound were predicted theoretically using scaled particle theory and compared with experimental values. FT-IR spectra of pure DMA, PEG 200 and their equimolar mixtures were also recorded and analysed for better understanding of prevailing intermolecular interaction.

Structural Engineering of l-Aspartic Amphiphilic Polyesters for Enzyme-Responsive Drug Delivery and Bioimaging in Cancer Cells.

Design and development of amphiphilic polyesters based on bioresources are very important to cater to the ever-growing need for biodegradable polymers in biomedical applications. Here, we report structural engineering of enzyme-responsive amphiphilic polyesters based on l-amino acid bioresources and study their drug delivery aspects in the cancer cell line. For this purpose, an l-aspartic acid-based polyester platform is chosen, and two noncovalent forces such as hydrogen bonding and side-chain hydrophobic interactions are introduced to study their effect on the aqueous self-assembly of nanoparticles. The synthetic strategy involves the development of l-aspartic acid-based dimethyl ester monomers with acetal and stearate side chains and subjecting them to solvent-free melt polycondensation reactions to produce side-chain-functionalized polyesters in the entire composition range. Postpolymerization acid catalyst deprotection of acetal yielded hydroxyl-functionalized polyesters. Amphiphilicity of the polymer is carefully fine-tuned by varying the composition of the stearate and hydroxyl units in the polymer chains to produce self-assembly in water. Various drugs such as camptothecin (CPT), curcumin (CUR), and doxorubicin (DOX) and biomarkers like 8-hydroxypyrene-1,3,6-trisulfonic acid trisodium salt (HPTS), rose bengal (RB), and Nile red (NR) are successfully encapsulated in the polymer nanoparticles. Cytotoxicity of biodegradable polymer nanoparticles is tested in normal and breast cancer cell lines. The polymer nanoparticles are found to be highly biocompatible and delivered the anticancer drugs in the intracellular compartments of the cells.

Ab initio framework for deciphering trade-off relationships in multi-component alloys

While first-principles methods have been successfully applied to characterize individual properties of multi-principal element alloys (MPEA), their use in searching for optimal trade-offs between competing properties is hampered by high computational demands. In this work, we present a framework to explore Pareto-optimal compositions by integrating advanced ab initio-based techniques into a Bayesian multi-objective optimization workflow, complemented by a simple analytical model providing straightforward analysis of trends. We benchmark the framework by applying it to solid solution strengthening and ductility of refractory MPEAs, with the parameters of the strengthening and ductility models being efficiently computed using a combination of the coherent-potential approximation method, accounting for finite-temperature effects, and actively-learned moment-tensor potentials parameterized with ab initio data. Properties obtained from ab initio calculations are subsequently used to extend predictions of all relevant material properties to a large class of refractory alloys with the help of the analytical model validated by the data and relying on a few element-specific parameters and universal functions that describe bonding between elements. Our findings offer crucial insights into the traditional strength-vs-ductility dilemma of refractory MPEAs. The proposed framework is versatile and can be extended to other materials and properties of interest, enabling a predictive and tractable high-throughput screening of Pareto-optimal MPEAs over the entire composition space.

قياس ونمذجة الخواص الزائدة للمخاليط الثنائية والثلاثية من سيكلوهكسان و بيوتانول العادي 1-أوكتانول عند درجات حرارة مختلفة

This study aims to correlate the excess thermodynamic properties for new desirable mixtures. The density, refractive index, and viscosity of pure components and mixtures were measured over the entire composition range at atmospheric pressure and different temperatures. The results of measuring the density, viscosity, and refractive index were used to calculate the excess molar volumes, viscosity deviation, excess refractive index, and excess activation energies of viscous flow were reported for binary and ternary mixtures of cyclohexane, n-butanol, and 1-octanol at temperatures 20, 30, 40, and 50oC and over the whole mole fraction range. For all of the binary and ternary mixtures the computed excess molar volumes were correlated by applying the Redlich–Kister equation. and Prigogine–Flory–Patterson (PFP) theory. The correlations of excess molar volume, viscosity deviation, excess refractive index and excess activation energy to understand the effect of polar and nonpolar and temperature increase in the systems. Many works carried out to predict the excess thermodynamic properties, but the mixtures of this work have not been studied so far at such conditions. It is hoped that the present work will help in the availability of experimental data for some unknown mixtures to understand their behavior in the chemical processes, petrochemical industries and design processes. Keywords: Correlations, Excess properties, Density, Viscosity, cyclohexane and Alcohols, Binary and Ternary mixtures