Ternary Solvent Mixtures Research Articles

An effective morphology controlled hydrothermal synthesis of Bi2WO6 and its application in riboflavin electrochemical sensor

Considerations attest to the growing importance of riboflavin in food, biological, and pharmaceutical fields, accurately detecting its content is of great significance for guiding nutritional health, diagnosis/treatment of related diseases, pharmacological research, and supervision of food/drug quality. Bismuth tungstate (Bi2WO6) has been prepared with varied morphologies and exposed as capable electrode material for Riboflavin (RF) electrochemical sensors. Variation in the morphology was achieved by the assistance of PVP, NaOH, and ternary solvent mixture that served as a capping agent, etchant, and soft template, correspondingly. Different physicochemical characterization and electrochemical techniques revealed the variation between the prepared Bi2WO6. Bi2WO6 with PVP + NaOH possesses an excellent redox performance and could be attributed to the effect of hollow spheres acting as a permitting tunnel for electrons and ions to enter its structure. The electrode material Bi2WO6 (PVP + NaOH)/GCE was exposed to Differential pulse voltammetry (DPV) towards electro-oxidation and reduction of RF. In both phases of detection, the concentration used was 0.03–457 µM, whereas the LOD and sensitivity are being 3.65 nM and 1.14 µA µM−1 cm−2 for reduction and 8.9 nM and 0.95 µA µM−1 cm−2 for oxidation responses, respectively. Moreover, recovery results with real samples are excellent and thus, validate excellent electro analytical redox performances.

Improvement of the Solubilization and Extraction of Curcumin in an Edible Ternary Solvent Mixture.

A water-free, ternary solvent mixture consisting of a natural deep eutectic solvent (NADES), ethanol, and triacetin was investigated concerning its ability to dissolve and extract curcumin from Curcuma longa L. To this purpose, 11 NADES based on choline chloride, acetylcholine, and proline were screened using UV–vis measurements. A ternary phase diagram with a particularly promising NADES, based on choline chloride and levulinic acid was recorded and the solubility domains of the monophasic region were examined and correlated with the system’s structuring via light scattering experiments. At the optimum composition, close to the critical point, the solubility of curcumin could be enhanced by a factor of >1.5 with respect to acetone. In extraction experiments, conducted at the points of highest solubility and evaluated via HPLC, a total yield of ~84% curcuminoids per rhizome could be reached. Through multiple extraction cycles, reusing the extraction solvent, an enrichment of curcuminoids could be achieved while altering the solution. When counteracting the solvent change, even higher concentrated extracts can be obtained.

Nanoporous Block Copolymer Membranes with Enhanced Solvent Resistance Via UV-Mediated Cross-Linking Strategies.

In this work, a block copolymer (BCP) consisting of poly((butyl methacrylate-co-benzophenone methacrylate-co-methyl methacrylate)-block-(2-hydroxyethyl methacrylate)) (P(BMA-co-BPMA-co-MMA)-b-P(HEMA)) is prepared by a two-step atom-transfer radical polymerization (ATRP) procedure. BCP membranes are fabricated applying the self-assembly and nonsolvent induced phase separation (SNIPS) process from a ternary solvent mixture of tetrahydrofuran (THF), 1,4-dioxane, and dimethylformamide (DMF). The presence of a porous top layer of the integral asymmetric membrane featuring pores of about 30nm is confirmed via scanning electron microscopy (SEM). UV-mediated cross-linking protocols for the nanoporous membrane are adjusted to maintain the open and isoporous top layer. The swelling capability of the noncross-linked and cross-linked BCP membranes is investigated in water, water/ethanol mixture (1:1), and pure ethanol using atomic force microscopy, proving a stabilizing effect of the UV cross-linking on the porous structures. Finally, the influence of the herein described cross-linking protocols on water-flux measurements for the obtained membranes is explored. As a result, an increased swelling resistance for all tested solvents is found, leading to an increased water flux compared to the pristine membrane. The herein established UV-mediated cross-linking protocol is expected to pave the way to a new generation of porous and stabilized membranes within the fields of separation technologies.

Precision Polymer Particles by Flash Nanoprecipitation and Microfluidic Droplet Extraction

We comparatively review two versatile approaches employed in the precise formation of polymer particles, with length scales from 10s of nm to to 100s μm, from ternary polymer(s), solvent and nonsolvent mixtures. Flash nanoprecipitation (FNP) utilizes an opposing jet arrangement to mix a dilute polymer solution and a nonsolvent in confinement, inducing a rapid (∼millisecond) chain collapse and eventual precipitation of nanoparticles (NPs) of 10–1000 nm diameters. FNP of polymer mixtures and block copolymers can yield a range of multiphase morphologies with various functionalities. While droplet solvent extraction (DSE) also involves the exposure of a polymer solution to a nonsolvent, in this case the polymer solution is templated into a droplet prior to solvent extraction, often using microfluidics, resulting in polymer particles of 1–1000 μm diameter. Droplet shrinkage and solvent exchange are generally accompanied by a series of processes including demixing, coarsening, phase inversion, skin formation, and kinetic arrest, which lead to a plethora of possible internal and external particle morphologies. In the absence of external flow fields, DSE corresponds effectively to nonsolvent induced phase separation (NIPS) in a spherical geometry. In this review, we discuss the requirements to implement both approaches, detailing consequences of ternary solution phase behavior and the interplay of the various processes underpinning particle formation and highlighting the similarities, differences, and complementarity of FNP and DSE. In addition to reviewing previous work in the field, we report comparative experimental results on the formation of polystyrene particles by both approaches, emphasizing the importance of solution phase behavior in process design.

“Less is More′′: Ultra Low LiPF6 Concentrated Electrolyte for Efficient Li‐Ion Batteries

AbstractIn the pursuit of lowering the cost of lithium‐ion (LIB) and lithium‐metal batteries (LMB), we reduced the lithium salt concentration of the electrolyte (i. e., lithium hexafluorophosphate LiPF6) to a record low 0.1 mol L−1 LiPF6. Herein we present the performance of lithium nickel manganese cobalt oxide (NMC), lithium manganese oxide (LMO), lithium iron phosphate (LFP) cathodes together with graphite and lithium metal anodes in a ternary solvent mixture of ethylene carbonate (EC), ethyl methyl carbonate (EMC), and 1,1,2,2‐tetrafluoroethyl 2,2,2‐trifluoroethyl ether (TFE) (3EC/7EMC/20TFE, by weight) containing 0.1 mol L−1 LiPF6. By virtue of the favored ionic associations between Li+ and PF6− in the presence of the TFE together with EC and EMC, the half and full coin cells revealed a robust performance at room temperature with high specific capacities and coulombic efficiencies (>98.5 %) over a wide current range (C/2→2C), high capacity retention, modest energy density (180 to 207 Wh kg−1 depending on the system), extended calendar life (600 h for the Li symmetric cells), and superior operation to cells using commercial carbonate electrolytes (i. e., 1 mol L−1 LiPF6 in EC/EMC, 3/7, v/v). The morphological characterization of the electrodes revealed mild structural degradation, homogenous distribution of the electrode and electrolyte‐based elements, as well as the formation of decomposition products, especially for the graphite anode. Overall, this study attests to the compatibility of low‐concentrated Li salt electrolytes with promising cathode and anode materials for efficient and cost‐effective battery systems.

Green Inks for the Fabrication of Organic Solar Cells: A Case Study on PBDTTPD:PC61BM Bulk Heterojunctions

Nonhalogenated ecofriendly solvents are an important asset to avoid costly safety precautions during the fabrication of organic solar cells by printing. Yet, in the past, the quest for suitable nontoxic solvents has widely used empirical approaches. Herein, a comprehensive solubility study is rolled out embracing Hansen solubility parameters (HSPs), tailoring of binary solvents and rational choices of solvent additives, identifying ecofriendly solvents or solvent combinations for the deposition of poly‐benzodithophene‐thienopyrroledione (PBDTTPD)/fullerene thin‐film blends. A particular challenge is the low polymer solubility even in common halogenated solvents. Following the HSPs, initially, a list of suitable solvent candidates is identified which are tested toward their applicability in solar cell fabrication. Among the shortlisted solvents, significant differences between p‐xylene and o‐xylene are observed, which can be compensated using solvent additives. The ecofriendly green solvent eucalyptol in combination with benzaldehyde and p‐anisaldehyde in a ternary solvent mixture gives rise to decent solar cell performances. Solar cells are produced with power conversion efficiencies matching those conventionally fabricated from state‐of‐the‐art halogenated solvents comprising chlorobenzene and chloronaphthalene. Notably, the Hansen solubility approach provides an initial choice of solvents, but comes to its limits in predicting the best micromorphology formation, or if solvents react with the organic semiconductors.

Dispersions of Zirconia Nanoparticles Close to the Phase Boundary of Surfactant-Free Ternary Mixtures.

The achievement of a homogeneous dispersion of nanoparticles is of paramount importance in supporting their technological application. In wet processing, stable dispersions were largely obtained via surfactant or surface functionalization: although effective, the use of dispersant can alter, or even impair, the functional properties of the resulting nanostructured systems. Herein, we report a novel integrated modeling and experimental approach to obtain stable ZrO2 nanoparticle (NP) dispersions at native dimensions (about 5 nm) in homogeneous ternary mixtures of solvents (i.e., water, ethanol, and 1,2-dichlorobenzene) without any further surface functionalization. A miscibility ternary diagram was computed exploiting the universal quasi-chemical functional-group activity coefficient (UNIFAC) model, which was then experimentally validated. Dynamic light scattering (DLS) on these mixtures highlights that nanometric structures, resembling nanoemulsion droplets, form close to the mixture two-phase boundary, with a size that depends on the ternary mixture composition. ZrO2–NPs were then synthesized following a classic sol–gel approach and characterized by XRD and Raman spectroscopy. ZrO2–NPs were dispersed in HCl and mixed with different mixtures of ethanol and 1,2-dichlorobenzene (DCB), obtaining homogeneous and stable dispersions. These dispersions were then studied by means of DLS as a function of DCB concentration, observing that the nanoparticles can be dispersed at their native dimensions when the mass fraction of DCB was lower than 60%, whereas the increase of the hydrophobic solvent leads to the NPs’ agglomeration and sedimentation. The proposed approach not only offers specific guidelines for the design of ZrO2–NPs dispersions in a ternary solvent mixture but can also be extended to other complex solvent mixtures in order to achieve stable dispersions of nanoparticles with no functionalization.

Optimization and Kinetic Study of Soybean Oil Extraction Rate with Ternary Solvents Mixture

The rate of Soybean (Glycine max) oil (SBO) extraction with a ternary solvent mixture (water, ethanol, and ethyl acetate) optimised with I-optimal Design (IOD) under the Mixture Methodology of the Design Expert (12.0.1.0). The data obtained were analysed statistically. The effect of extraction time (60-180 mins) and temperature (65-70 °C) on SBO was investigated and data obtained were used to evaluate the suitable kinetic and thermodynamic properties of the extraction. The maximum Rate of Oil Yield (32.35 mg/min) was achieved at the solvent mixture of 9.17% water, 6.67% ethanol, and 84.17% ethyl acetate. The Quadratic model best describes the Rate of Oil Yield, with a correlation coefficient (R2) of 0.9922 and an Adjusted R2 of 0.9825. The rate equation for the extraction process is a first-order reaction with ‘n’ value of 1.12756 (≅1.000) while the activation energy (Ea) and Arrhenius constant were 6508.1 kJ/mol and 38.901 s-1, respectively. The study has demonstrated the suitability of I-Optimal Design for the investigation of the Rate of Oil Yield from soybean and the result could be employed in oil extraction process design.

Selective recovery and purification of carotenoids and fatty acids from Rhodotorula glutinis using mixtures of biosolvents

Selective recovery and purification of carotenoids and lipids from oleaginous red yeast Rhodotorula glutinis require a complex integration of different downstream operations. Envisioning a future industrial application in the bioeconomy framework, an experimental planning was used to design ternary mixtures of bio-based solvents (biosolvents) for simultaneous recovery and selective separation of carotenoids (i.e., β-carotene and torularhodin) and fatty acids (i.e., margaric acid, stearic acid and pentadecylic acid) from untreated (fresh wet) and freeze/thaw pre-treated (wet and dry) biomass of Rhodotorula glutinis CCT-2186. Two ternary systems of biosolvents, (i) ethanol:ethyl lactate:water and ii) ethanol:ethyl acetate:water, were investigated in solid–liquid extraction procedures to permeabilize/disintegrate the yeast cells and to enhance the selective recovery of β-carotene, torularhodin and fatty acids from the intracellular environment. Optimization of the ternary mixture composition for recovery of carotenoids and fatty acids from the three types of biomass allowed to obtain yields higher than 75% (w/w) from pre-treated dry biomass using mixture of ethanol:ethyl acetate:water (67:33:00% w/w/w). The best systems were then integrated with a liquid–liquid extraction for the selective separation of carotenoids and fatty acids and solvent recycling. The mixtures of biosolvents were reused up to three consecutive extraction cycles, maintaining high extraction efficiency yields of both carotenoids (>45% w/w) and lipids (>30% w/w). At the end, the biological activity of the carotenoids extracts was confirmed by determining the antioxidant activity using Electron Paramagnetic Resonance (EPR) and the stable free radical 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH·). The highest antioxidant activity (93%) was obtained with torularhodin (250 μg/mL). This study confirms that extraction platforms using mixed biosolvents are simple, efficient and sustainable solutions for the selective recovery and separation of carotenoids and fatty acids from microbial biomass.

Low-Concentrated Lithium Hexafluorophosphate Ternary-based Electrolyte for a Reliable and Safe NMC/Graphite Lithium-Ion Battery.

Current commercial lithium-ion battery (LIB) electrolytes are heavily influenced by the cost, chemical instability, and thermal decomposition of the lithium hexafluorophosphate salt (LiPF6). This work studies the use of an unprecedently low Li salt concentration in a novel electrolyte, which shows equivalent capabilities to their commercial counterparts. Herein, the use of 0.1 M LiPF6 in a ternary solvent mixture of ethylene carbonate (EC), ethyl methyl carbonate (EMC), and 1,1,2,2-tetrafluoroethyl 2,2,2-trifluoroethyl ether (TFE) (3EC/7EMC/20TFE, by weight) is investigated for the first time in LiNi1/3Mn1/3Co1/3O2 (NMC111)/graphite pouch cells. In solution, the Li+ transport number and diffusion are governed by the Grotthuss mechanism, with transport properties being independent of salt concentration. The proposed electrolyte operates in a wide temperature window (0-40 °C), is nonflammable (self-extinguishing under 2 s), and shows adequately fast wetting (4 s). When incorporated into the NMC/graphite pouch cell, it initially forms a solid electrolyte interphase (SEI) with minimal gas formation followed by a comparable battery performance to standard LiPF6 electrolytes, validated by a high specific capacity of 165 mAh g-1, Coulombic efficiencies of 99.3%, and capacity retention of 85% over 700 cycles.

Effects of Modified Activated Carbon on Microwave-Accelerated Organosolv Fractionation of Rice Husk.

Organosolv fractionation is a promising approach for the separation of lignocellulosic components in integrated biorefineries where each component can be fully valorized into valuable platform chemicals and biofuels. In this study, microwave-accelerated organosolv fractionation was developed for the modification of lignocellulosic fractionation of rice husk. The fractionation condition was optimized for 1 h with the microwave irradiation at 300 W using a ternary solvent mixture composed of 24%:32%:44% water/ethanol/methyl isobutyl ketone. The effects of mineral acids (HCl, H3PO4, and H2SO4) and heterogeneous acid promoters (HCl, H3PO4, and H2SO4 impregnated over activated carbon) on the efficiency and selectivity of product yields (i.e., glucan, hemicellulose-derived products, and lignin) were also investigated. It was found that the use of H3PO4–activated carbon as the promoter showed superior performance on the fractionation of rice husk components, resulting in 88.8% recovery of cellulose, with 63.8% purity in the solid phase, whereas the recovery of hemicellulose (66.4%) with the lowest formation of furan and 5-hydroxymethyl furfural and lignin (81.0%) without sugar cross-contamination was obtained in the aqueous ethanol phase and organic phase, respectively. In addition, the morphology structure of fractionated rice husk presented 2.6-fold higher surface area (5.4 m2/g) of cellulose-enriched fraction in comparison with the native rice husk (2.1 m2/g), indicating the improvement of enzyme accessibility. Besides, the chemical changes of isolated lignin were also investigated by Fourier-transform infrared spectroscopy. This work gives pieces of information into the efficiencies of the microwave strategy as a climate neighborly elective fractionation method for this serious starting material in the biotreatment facility business.

Binary and ternary deep eutectic solvent mixtures: Influence on methylene blue electropolymerisation

Binary and ternary deep eutectic solvent (DES) mixtures based on choline chloride, with ethylene glycol, oxalic acid, urea and fructose, were used for the first time as media for the electropolymerisation of poly(methylene blue) (PMB) on glassy carbon electrodes (GCEs) and GCEs modified with multiwalled carbon nanotubes (MWCNTs). The influence of different parameters such as DES composition, the presence of MWCNTs and/or of perchlorate dopant, on the polymer film properties was evaluated. The polymer films electrodeposited in the different media were characterized by cyclic voltammetry and different voltammetric characteristics were observed depending on the electropolymerisation conditions. This knowledge was used to determine the best binary and ternary mixtures for polymer growth, with a view to electrochemical sensor applications. The PMB-based modified electrode with the best characteristics was tested for ascorbate sensing in order to demonstrate the usefulness of this platform.

Application of gene expression programming for predicting density of binary and ternary mixtures of ionic liquids and molecular solvents

Ionic Liquids (ILs) have received increased attention across a number of disciplines in recent years. This noticeable importance of ILs is attributed to their attractive proprieties. Precise evaluation of the thermophysical properties of ionic liquids and their mixtures with molecular solvents is essential for distinct multidisciplinary applications. In this study, a rigorous white-box intelligent technique, viz. gene expression programming (GEP) was implemented for establishing new correlations for accurate prediction of density of binary and ternary mixtures of ILs and molecular solvents. The newly suggested correlations were developed using a comprehensive experimental database with 1985 real measurements under a variety of operational conditions. The obtained results revealed that the newly established GEP-based correlations can predict the density of binary and ternary mixtures of ILs and molecular solvents with a high degree of integrity. The GEP-based correlations exhibited overall average absolute relative error (AARE) values of 0.5621% and 0.2128% for binary and ternary cases, respectively. Besides, it was found that our proposed explicit correlations followed the expected tendency with respect to the considered variables. Furthermore, the superiority and the reliability of the GEP-based correlations was testified against the best-existing approaches in the literature. Finally, the leverage approach was performed and the statistical validity of the correlations and the experimental data was testified.

Solubility of paracetamol in the ternary solvent mixtures of water + ethanol + glycerol at 298.2 and 303.2 K

ABSTRACT The solubility of paracetamol in the ternary mixtures of water + ethanol + glycerol at 298.2 and 303.2 K is determined via the shake-flask method. The reported data extend the solubility database for paracetamol in various solvent mixtures and also is employed to investigate the prediction capability of the cosolvency models for solubility prediction in the sub-binary and the ternary solvent systems. The solubility data are correlated with some cosolvency models and their accuracies are evaluated by the mean relative deviation (MRD) computed for back-calculated solubilities. The results show that the investigated models fit well and can be applied to the ternary solvent system, and the experimental data is relatively more consistent with the calculated values. The prediction ability of the trained Jouyban-Acree model for predicting drug solubility behaviour in the corresponding sub-binary systems is also investigated.

Enhancement of graffiti removal from heritage stone by combining laser ablation and application of a solvent mixture

In this study, it was evaluated the combined cleaning treatment based on laser ablation followed by the application of chemical products for removing alkyd graffiti paint from two different types of stone. Three different laser treatments (operated in Q-switched, long Q-switched and free short running modes) were applied to the stone samples. The best two treatments were then followed up by application of a chemical product (a low toxic ternary solvent mixture). The Q-switched and the long Q-switched laser treatments in combination with the chemical agent were more effective than either of the laser treatments alone, leaving fewer paint remains, but with minimal damage to the stone.

Anti-Graffiti Coatings on Stones for Historical Buildings in Turin (NW Italy)

The application of anti-graffiti products to stones belonging to architectural heritage is a common procedure that is currently complementary to traditional graffiti removal treatments, such as chemical and mechanical cleaning. In this study, two anti-graffiti coatings (a sacrificial product and a permanent one) were tested on four stones (with a different texture, mineralogy, and surface finish) commonly found in the historical city center of Turin (Italy). In order to evaluate the effectiveness of the anti-graffiti products, the removal of two graffiti paints with different compositions was tested. The results of the cleaning procedures performed on the surfaces coated with anti-graffiti products were evaluated, considering both the graffiti remains and the alterations induced on the surface. Chemical cleaning based on the use of a low-toxic ternary solvent mixture was applied on the unprotected stones for a comparison with the results obtained on the surfaces coated with anti-graffiti products. The samples were observed under stereomicroscopy and ultraviolet fluorescence photography and all of the treated surfaces were evaluated by roughness measurements, the contact sponge method, static contact angle measurements, and scanning electron microscopy. The composition of the anti-graffiti product, the graffiti paint to be cleaned, and the remover recommended by the manufacturer proved to be key factors for the cleaning effectiveness achieved on coated surfaces. Moreover, to a lesser extent, the mineralogy, texture, and surface finish of the stone also influenced the results of the cleaning procedures. The sacrificial anti-graffiti product enhanced the cleaning effectiveness on all stones if compared to uncoated surfaces; however, the permanence of coating remains on the surface after cleaning proved to be critical. Regarding the use of the permanent anti-graffiti products, intense disparate results were achieved, depending on the graffiti paint composition.

Application of Relay C−H Oxidation Logic to Polyhydroxylated Oleanane Triterpenoids

Summary Although clinical applications of abundant feedstock triterpenoids such as oleanolic acid are limited because of poor solubility and bioavailability, synthetic access to higher hydroxylated oleanane terpenoids is challenging. We now report the use of relay C−H oxidation logic to mimic the processes carried out in nature by P450 monooxygenase enzymes. To this end, we used the C-23-OH as natural handle for a hydrogen-atom transfer to access C-6, enabling the first syntheses of highly oxidized natural products uncargenin C and protobassic acid as well as uncovering the anti-leukemic activity of a synthetic intermediate.

A mechanistic model to predict droplet drying history and particle shell formation in multicomponent systems

Spray drying allows tuning the physical properties of the resulting powders widely. However, targeted process design is complicated by the interplay between process characteristics and the non-ideal physical properties exhibited by multicomponent mixtures, such as pharmaceutical formulations. This work presents a mechanistic model describing the drying of single droplets. The model includes heat and mass balances, non-ideal vapour-liquid equilibria, and population balances describing the evolution of particulates within the drying droplet. The model is applied to (up to) ternary mixtures of solvents, polymers and solutes, and predicts properties of the drying droplet such as the time of shell formation and the size of the particle obtained after drying. A comparison with experimental data from single droplet drying experiments carried out at defined relative vapour saturation and temperature shows that the model can be used to predict shell formation (as well as other properties) for the systems studied here.

Osmotic Swelling of Sodium Hectorite in Ternary Solvent Mixtures: Nematic Liquid Crystals in Hydrophobic Media.

The swelling of clay minerals in organic solvents or solvent mixtures is key for the fabrication of polymer nanocomposites with perfectly dispersed filler that contain only individual clay layers. Here, we investigated the swelling behavior of sodium hectorite in different ternary solvent mixtures containing methanol, acetonitrile, ethylene glycol, or glycerol carbonate with minimal amounts of water. We found that in these mixtures, less water is required than in the corresponding binary mixtures to allow for complete delamination by repulsive osmotic swelling. A quantitative study of osmotic swelling in a particular ternary mixture shows that organic solvents resemble swelling behavior in pure water. At hectorite contents larger than 5 vol %, the separation of individual layers scales with ϕ-1. At this concentration, a crossover is observed and swelling continues at a slower pace (ϕ-0.5) below this value.

Local composition models for predicting Kamlet-Taft dipolarity/polarizability of nonaqueous binary and ternary mixtures

Abstract Local composition models of newly proposed Wilson solvation (WS) model and preferential solvation (PS) model were developed for predicting Kamlet-Taft (KT) dipolarity/polarizability (π*) of binary and ternary solvent mixtures. The WS model could correlate the π* data of eleven nonpolar (1) - polar (2) liquid mixtures that gave an average relative deviation (ARD) of 5.4%, compared with the PS model (3.7%). The WS and PS parameters obtained from correlations were generalized to have a linear relationship with dipole moment (μ). The resulting linear relationship allows the predicted π* values of 24 additional binary mixtures to within an overall ARD of 9.3%, by knowing only pure component π* and μ values. The WS and PS models were applied to predictions of nonaqueous ternary systems for KT π* values, KT basicity, KT acidity and Reichardt normalized polarity that gave an overall ARD of 5.8% for WS model and 3.3% for PS model. Application of the models makes it is possible to identify favorable compositions of ternary (heptane-ethyl acetate-ethanol) solvents being used in replacements of dichloromethane for chromatography and other chemical ternary systems that require only binary polarity data.