Components Of Binary Mixture Research Articles

Rapid and sensitive colorimetric assay based on aggregation of gold nanoparticles coupled with fuzzy inference system for the trace determination of sofosbuvir and ledipasvir as anti-hepatitis F in binary mixture

A facile, rapid, low-cost, and sensitive gold nanoparticle (AuNP)-based colorimetric method was introduced to analyze sofosbuvir (SOF) and ledipasvir (LED) simultaneously in laboratory binary mixtures and pharmaceutical formulation samples using fuzzy inference system (FIS). The synthesized AuNPs before and after adding the drug were characterized using Fourier-transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), and dynamic light scattering (DLS). After adding the drug to AuNPs solution, the color change from wine red (520 nm) to grey (660 nm) occurred due to the aggregation of AuNPs and the surface plasmon resonance (SPR) in the visible region. A linear calibration curve was in the range from 10 to 100 and 20–100 mg/L with a limit of detection and limit of quantification of 9.57, 29.07 μg/L and 8.58, 26.15 μg/L for SOF and LED, respectively. FIS along with principal component analysis (PCA) was used for the simultaneous determination of SOF and LED. The mean recovery values were found to be 101.07 % and 99.58 %, and the root mean square error (RMSE) was 1.1455 and 1.2138 for SOF and LED, respectively. The results obtained from the analysis of real sample by FIS-PCA and HPLC were compared via an ANOVA test and no significant difference was observed. The results indicated that the developed optical method has high precision, accuracy, and sensitivity for the analysis of pharmaceutical components in binary mixtures, which can be faster and less expensive than chromatography methods.

Physicochemical properties of binary mixtures of cation-fluorinated ionic liquids with their non-fluorinated analogues

This work reports an investigation of the physicochemical properties (density, viscosity, refractive index and thermal stability) of four binary mixtures having a common acetate ([OAc]¯), trifluoromethanesulfonate ([OTf]¯) or bis(trifluoromethylsulfonyl)imide ([NTf2]¯) anion with either cation-fluorinated and non-fluorinated methylimidazolium (MIm) or pyridinium (Py) cations respectively, at various temperatures. The mixing behaviour of the binary mixtures was analysed by 1H and 19F Nuclear magnetic resonance (NMR) spectrometry, and the excess properties of the mixtures were calculated from the physicochemical data. The binary mixtures of fluorinated ionic liquids (FILs) with their non-fluorinated or alkyl-substituted analogues (AILs) showed an increase in density and viscosity but a decrease in refractive index with an increase in mole fraction of the pure FILs. The thermal stability of the AILs was higher than the FILs, however, an increase in the mole fraction of the pure FILs in the binary mixtures made a negligible impact on the thermal stability of the binary mixtures. These binary mixtures were found to deviate from ideal behaviour for the different physicochemical properties tending to vary between the extremes of the pure components. The large differences in properties of FILs compared with their non-fluorinated analogues were shown to be associated with the size of the fluorine atoms in the fluoro-alkyl chain, the tendency of the fluoro-alkyl chain to form aggregates with fluorinated anions, and the hydrogen bond acceptor strength of the anions. The excess properties were fitted to the Redlich-Kister polynomial equation, and no significant deviation was obtained. This study shows that the physicochemical properties of the fluorinated ionic liquids can conveniently be adjusted for specific applications by simply varying the amount of the cation-fluorinated component in binary mixtures.

Discrimination of natural and synthetic forms of azurite: An innovative approach based on high-resolution terahertz continuous wave (THz-CW) spectroscopy for Cultural Heritage

It is not always possible to discriminate natural and synthetic forms of pigments in a non-invasive way. In this work, we demonstrate that THz spectroscopy allows for this selective discrimination of chemically related compounds. In the presented results, we show the spectral characterization of the following copper carbonates: natural azurite and two of its synthetic forms, bice blue and blue verditer. In particular, the physical properties of the two synthetic forms were characterized for the first time in the terahertz spectral range by exploiting a high-resolution coherent terahertz Continuous Wave (THz-CW) spectrometer. The findings reveal distinct absorption spectra for the three chemically related pigments, showing specific fingerprints that can be used to discriminate the natural compound from the synthetic forms.In fact, we show that by THz-CW it was possible to discriminate those pure components in binary mixtures and quantify the single components contribution.This identification is of great interest to assist in dating artworks or evidence restoration and retouching treatments. The results demonstrate that THz-CW spectroscopy can pave the way to an innovative approach to the Cultural Heritage field.

Investigation on the thermodynamic performance and machinery mass in the N2O-based mixtures recompression Brayton cycle for a nuclear-powered spacecraft

As a reliable energy system with a long service life, nuclear energy can produce massive power for spacecraft in deep space exploration. Due to the compact layout and excellent performance, the supercritical recompression Brayton cycle has received extensive attention and has become a hot research topic in thermoelectric conversion technology. The critical properties of the working medium are a constraint on the cycle performance. Adding additional gas into a pure S-N2O working medium can effectively change the properties of the critical point and improve the cycle performance. However, there is no standard for selecting appropriate binary mixture components to determine which additive gas can improve cycle efficiency. In this work, several gases are chosen as the potential N2O-based mixtures (N2O-O2, N2O-He, N2O-Kr, N2O-Ar, N2O-H2S, N2O-CO, N2O-SO2, N2O-CH4, N2O-C2H6, N2O-C3H8, N2O-C4H8, N2O-C4H10, N2O-C5H10, N2O-C5H12, N2O-C6H6) as the working medium in the system. The detailed sensitivity analysis reveals the influence of essential parameters (the split ratio, pressure ratio, selection minimum operating temperature, maximum operating temperature, and minimum operating pressure) on the thermodynamic efficiency and Brayton machinery unit mass. According to the analysis results, the thermal efficiency improves with an increase in the split ratio, pressure ratio, and maximum operating temperature and decreases in the selection minimum operating temperature and minimum operating pressure for all mixtures. The exergy efficiency also showed a similar variation trend. However, the influence of the maximum working temperature on it is different from that of the thermal efficiency, which decreases with the increase of the maximum working temperature. The cycles operated close to the critical area can provide better cycle performance, and N2O-He has the best thermal performance among all proposed N2O-based mixtures, which can be used as a potential choice as the working medium for future nuclear-powered spacecraft.

Techno-economic and environmental analyses of the pyrolysis of food waste to produce bio-products

Food waste has become a source of concern as it is generated abundantly worldwide and needs to be valorised into new products. In this study, cucumber, tomato, and carrot wastes were investigated as pyrolysis feedstocks as a single component (cucumber), a binary component mixture (cucumber and tomato), and a ternary component blend (cucumber, tomato, and carrot). Fourteen scenarios were simulated and evaluated based on varying the feedstock blend (single, binary, and tertiary), temperature (300 and 500 °C), and feedstock moisture content (5, 20, and 40%). Using an established empirical model, the effect of these parameters on product yields, techno-economic implications, energy requirements, and life cycle analysis (LCA) outcomes were investigated. The best performers of each scenario were determined, and their strengths and weaknesses were identified and compared with other scenarios. In terms of product yields, all three systems (single, binary, and tertiary) followed a similar pattern: bio-oil yields increased as temperature and feedstock moisture content increased, while biochar yields decreased as temperature and feedstock moisture content increased. The production of syngas, on the other hand, was only observed at elevated temperatures. The total energy requirement exhibited an increase with increasing temperature and feedstock moisture content. The economic evaluation revealed that the return on investment (ROI) value for the single component at 5% moisture content at 300 °C is 29%, with a payback period (PB) of only 3.4 years, which is potentially very appealing. The water footprint increased with increasing pyrolysis temperature but decreased with increasing moisture content in all scenarios. The land footprint is observed to remain constant despite changes in process conditions. The study's findings contribute to the pyrolysis process's scalability, technological advancement, and commercialisation.

Pigments, minerals, and copper-corrosion products: Terahertz continuous wave (THz-CW) spectroscopic characterization of antlerite and atacamite

In this work, the optical properties of atacamite, antlerite and azurite are characterized for the first time by exploiting a high-resolution coherent THz-CW spectrometer in the spectral range 0.1–2.8 THz adopting transmission configuration; the spectral response of atacamite and antlerite is reported for the first time in literature in this frequency range. The absorption spectra of the two copper-based pigments showed the presence of distinct absorption peaks defining their fingerprints. In particular, atacamite presents a peak centered at 2.45 THz and antlerite presents two spectral fingerprints centered at 1.77 and 2.52 THz; the retrieved average refractive index is 1.19 and 1.29, respectively. The absorption spectrum of azurite is in good agreement with previous works in the far infrared region and presents two sharp peaks centered at 1.83 and 2.23 THz with an average value of the refractive index of 1.65. Furthermore, by means of the same technique, it is possible to discriminate and quantify pure components in binary mixtures. This result is of great interest for the identification of pigments and metallic corrosion products, and it demonstrates that THz-CW spectroscopy can open the way to an innovative approach for the Cultural Heritage field.

FORMATION OF THE YIELD OF THE ABOVE-GROUND MASS OF WHITE SWEETCLOVER IN SINGLE-SPECIES AND COMBINED CROPS IN THE CONDITIONS OF THE RIGHT-BANK FOREST STEPPE OF UKRAINE

FORMATION OF THE YIELD OF THE ABOVE-GROUND MASS OF WHITE SWEETCLOVER IN SINGLE-SPECIES AND COMBINED CROPS IN THE CONDITIONS OF THE RIGHT-BANK FOREST STEPPE OF UKRAINE

High-Pressure Gravimetric Measurements for Binary Gas Adsorption Equilibria and Comparisons with Ideal Adsorbed Solution Theory (IAST).

Measurements of gas mixture adsorption equilibria at high pressures are important for assessing actual adsorbent selectivities but are often out of reach, given the challenging nature of the required experiments. Here, we report a high-pressure gravimetric binary gas adsorption equilibrium measurement system based on simultaneous gas density and mixture adsorption measurements in a single gas cell coupled to a magnetic-suspension balance. Compared to traditional techniques which rely on analytical measurements of gas composition, this approach does not require any sampling. Adsorption measurements of two gas mixtures (0.500 N2 + 0.500 CH4 and 0.400 N2 + 0.600 CO2, mole fraction) on a commercially available molecular sieve (NaY, sodium molecular sieve type Y) were carried out in the temperature range 282 to 325 K with a pressure up to 10 MPa. A prediction method for the gas mixture adsorption equilibria in a closed system using the ideal adsorbed solution theory (IAST) model was used to compare the experimental results. For binary mixtures of components with similar adsorption capacities (here N2 and CH4), the system can measure the adsorption equilibria at pressures higher than 1.0 MPa and the result agrees well with the IAST model prediction. For two gases with very different adsorption capacities, the uncertainty in the adsorption equilibrium measurement is much larger. The dominant uncertainty source is the gas density measurement, whose uncertainty could potentially be cut to half if the current titanium sinker is replaced with a sinker made of single-crystal silicon and with a larger volume.

Toluene and 2-propanol mixture oxidation over Mn2O3 catalysts: Study of inhibition/promotion effects by in-situ DRIFTS

Three Mn2O3 catalysts were synthetized by different methods, characterized and tested in toluene and 2-propanol (iPrOH) oxidation in single and binary component mixture. In single VOC media, the catalytic activity was strongly influenced by the specific surface area, low-temperature reducibility and active surface-oxygen species. In the binary VOCs mixture oxidation, light-off curves were shifted to lower temperatures, suggesting a promoting effect on the catalytic activity for toluene and iPrOH oxidation. The acetone production in binary mixture was also shifted to lower temperatures. The obtained results were rationalized based on the different polarity of the VOCs, the available adsorbed oxygen and the exothermic character of the VOCs combustion. These promoting effects were pointed out by in-situ DRIFTS measurements, in which the pre-adsorption of any of these two VOCs affected the adsorption/reaction of the other. For the first time, in-situ DRIFTS has been applied to elucidate the reaction mechanisms of the oxidation of toluene/2-propanol mixture on Mn2O3, which allowed to correlate the surface phenomena and the catalytic performance.

Viscometric and refractive index study of intermolecular interaction between binary mixtures of terpinolene with o-, m- and p-cresol at 303.15, 308.15 and 313.15 K

Viscosities and refractive indexes  were experimentally measured for binary mixtures of terpinolene with o-, m- and p-cresol for entire composition range at 303.15, 308.15 and 313.15 K and at atmospheric pressure. Deviation in viscosity , excess Gibbs energy of activation for viscous flow , enthalpy  and entropy  of viscous flow, deviation in refractive index , molar refraction  and deviation in molar refraction  were also calculated. Various theoretical viscosity relations such as Dolezalek-Schulze ( , Grunberg-Nissan , Tamura-Kurata  Katti-Chaudhri ( , McAllister relation (  and ), Kendall-Munroe relation, Bingham relation and Arrhenius-Eyring relation were calculated. Similarly, nine theoretical refractive index relations such as Arago-Biot (A-B), Dale-Glastone (D-G), Lorentz-Lorentz (L-L), Eykman (Eyk), Weiner (WR), Heller (Hr), Newton (Nw), Oster (Os) and Eyring-John (E-J) were also calculated with their standard deviation  values. Results were discussed in terms of the presence of intermolecular interactions between the components of binary mixtures.

Investigation the performance of the recompression Brayton cycle with different N2O-based binary mixtures for a nuclear power spacecraft

The development of space power supply and space propulsion technology based on solar and chemical energy has approached the limit state. Large-scale space missions such as solar system marginal exploration, deep space orbit transfer and manned deep space exploration have put forward higher requirements for highly reliable, sustainable and high-power power sources. With the potential development of compact components, the S-CO2 recompression Brayton cycle has attracted much attention to improve the key technologies of nuclear power spacecraft and reduce the system mass and research and development cost. To weaken the constraint of the critical point of the supercritical working medium on the minimum cycle conditions, the additional gas mixed with pure N2O as the working medium can change the critical point properties to improve the cycle efficiency. At this present study stage, there is no specific standard for selecting the appropriate binary mixture components to improve the cycle efficiency. This study analyzed the physical properties of N2O-based binary mixtures and adopted them as a criterion to judge whether the N2O-based binary mixture can improve the cycle efficiency. Finally, according to the analysis results obtained and specific system environment requirements, several factors have been identified the selection criteria for N2O-based binary mixtures. The conclusion of this work is that the working medium with a more significant entropy difference, a higher specific heat capacity for the compressor close to the minimum cycle temperature in a specific temperature range and a lower maximum enthalpy of the N2O-based binary mixtures can obtain a higher cycle efficiency. Moreover, the substances reduce the critical temperature under that of N2O; in this scenario, the thermal performance is improved compared with pure S-N2O.

Feather-weight cryostructured thiourea-chitosan aerogels for highly efficient removal of heavy metal ions and bacterial pathogens

Designing of economically feasible and recyclable polysaccharide-based materials with thiourea functional groups for removal of specific metal ions such as Ag(I), Au(I), Pb(II) or Hg(II) remains a major challenge for environmental applications. Here, we introduce ultra-lightweight thiourea-chitosan (CSTU) aerogels engineered by combining successive freeze-thawing cycles with covalent formaldehyde-mediated cross-linking and lyophilization. All aerogels exhibited outstanding low densities (0.0021–0.0103 g/cm3) and remarkable high specific surface areas (416.64–447.26 m2/g), outperforming the common polysaccharide-based aerogels. Benefitting from their superior structural features (honeycomb interconnected pores and high porosity), CSTU aerogels demonstrate fast sorption rates and excellent performance in sorption of heavy metal ions from highly-concentrated single or binary-component mixtures (1.11 mmol Ag (I)/g and 0.48 mmol Pb(II)/g). A remarkable recycling stability was observed after five sorption-desorption-regeneration cycles when the removal efficiency was up to 80 %. These results support the high potential of CSTU aerogels in the treatment of metal-containing wastewater. Moreover, the Ag(I)-loaded CSTU aerogels exhibited excellent antimicrobial properties against Escherichia coli and Staphylococcus aureus bacterial strains, the killing rate being around 100 %. This data points towards the potential application of developed aerogels in circular economy, by employing the spent Ag(I)-loaded aerogels in the biological decontamination of waters.

Thermodynamic and spectral studies of molecular interactions in binary liquid mixtures of 1-butoxy-2-propanol with amines at different temperatures

ABSTRACT Binary liquid mixtures of 1-butoxy-2-propanol with amines namely diethylamine, dipropylamine and triethylamine have been discussed in the present discussion. Measurements of density and speed of sound of pure liquids and their binary mixtures have been carried out over the entire composition range and temperatures (298.15, 303.15 and 308.15) K. To study the thermodynamic behaviour of these liquid mixtures, various parameters were calculated using the experimentally measured data. Strong intermolecular interactions among the components of binary liquid mixtures were confirmed by calculated parameters. Various excess and deviation properties were correlated to composition using the Redlich–Kister polynomial. Further, density and speed of sound data were correlated with composition using Jouyban–Acree model. The experimental results have been analysed by using Prigogine–Flory–Patterson (PFP) theory. 1H-NMR spectra of binary mixtures at equimolar composition has also been studied.

Synergistic effects during pyrolysis of binary mixtures of biomass components using microwave-assisted heating coupled with iron base tip-metal

The interaction between microwave and tip-metal can cause microwave discharge under appropriate conditions, showing promotion effect on pyrolysis of actual biomass. However, the fundamental studies of biomass component pyrolysis in terms of this method is lack, leading to synergistic effect during pyrolysis of binary mixtures of biomass components unclear. Therefore, the work studied pyrolysis characteristics of individual component (cellulose, lignin, and xylan) and binary mixtures of these components using microwave-assisted heating coupled with iron base tip-metal, and focused on the synergistic effect during the pyrolysis of binary mixtures. It was found microwave-assisted heating coupled with tip-metal had a triggering effect on the pyrolysis of lignin and xylan, reducing initial pyrolysis temperature by half. The maximum pyrolysis rate of the binary mixtures (cellulose-lignin and lignin-xylan) improved with the increase of lignin. The initial pyrolysis of binary mixture comprised by cellulose and xylan was also promoted. Synergistic effect of binary component pyrolysis was strengthened with this method. The pyrolysis synergistic effect of cellulose and lignin was centralized before 350 °C, and the synergistic effect obtained with the binary mixture of lignin and xylan was benefited most from this method. The work provides valuable information on biomass pyrolysis using this method.

Impacts of preferential vaporization on flashback behaviors of multi-component liquid fuels

Liquid transportation fuels are composed of a wide range of molecular structures and weights, therefore exhibiting a relatively large distillation temperature range. When fuel chemical properties change along with the distillation temperature curve, preferential vaporization effects could play a role in near-limit combustion behaviors. The objective of this study is to experimentally evaluate the role of preferential vaporization on flame flashback behaviors. A unique spray burner is developed to control the extent of fuel spray vaporization by adjusting flow rates and/or the spray injection location from the burner exit. Spray characteristics are comprehensively determined using Phase Doppler Particle Analyzer. Two binary component mixtures are formulated (n-octane/iso-cetane and iso-octane/n-hexadecane) to exhibit common combustion behaviors in the fully vaporized condition but have considerably different preferential vaporization characteristics. Identical flashback behaviors of two mixtures are observed for fully pre-vaporized conditions by setting the burner temperature at 700 K, including both propagation- and ignition-driven flashback behaviors. Partially vaporized conditions are investigated at two global equivalence ratios (1.0 and 1.4) by setting the burner temperature at 450 K. The flashback behaviors for both global equivalence ratio conditions are found to be affected by the preferential vaporization characteristics represented by laminar flame speeds of the vaporized fuel mixture composition. The relative significance of local flow perturbation induced by instantaneous fuel droplet evaporation near the flame surface has been also investigated by analyzing planar laser-induced fluorescence images, as well as considering the changes of Markstein length with the extent of fuel vaporization. Finally, the relative contributions of local laminar flame speed representing local fuel vapor deposit, local flow perturbation, and preferential vaporization are evaluated through feature sensitivity analyses.

Normal alkane evaporation under vacuum: chain-length dependency and distillation from binary systems

Normal alkanes are among the simplest molecules that can be studied in physical chemistry. However, there is still more to learn about their liquid-to-gas phase transition characteristics, especially in vacuo. Here, we investigated the evaporation behavior of 12 different normal alkanes using thermogravimetry, both in air and under reduced pressures (5000 to 10−2 Pa). The reduced pressures lowered the evaporation-onset temperatures of the normal alkanes. The evaporation-onset temperatures at ∼1 Pa were linearly correlated with the chain lengths (molecular weights). Furthermore, we found that the reduced pressures enabled the effective distillation of binary mixtures of normal alkanes because of the differences in the evaporation-onset temperatures. It was empirically determined that distillation (isolated evaporation of one of the binary mixture components) was achieved at ∼1 Pa when the chain of one of the alkanes was 30% longer than that of the other.

Prediction of Self-Diffusion in Binary Fluid Mixtures Using Artificial Neural Networks.

Artificial neural networks (ANNs) were developed to accurately predict the self-diffusion constants for individual components in binary fluid mixtures. The ANNs were tested on an experimental database of 4328 self-diffusion constants from 131 mixtures containing 75 unique compounds. The presence of strong hydrogen bonding molecules may lead to clustering or dimerization resulting in non-linear diffusive behavior. To address this, self- and binary association energies were calculated for each molecule and mixture to provide information on intermolecular interaction strength and were used as input features to the ANN. An accurate, generalized ANN model was developed with an overall average absolute deviation of 4.1%. Forward input feature selection reveals the importance of critical properties and self-association energies along with other fluid properties. Additional ANNs were developed with subsets of the full input feature set to further investigate the impact of various properties on model performance. The results from two specific mixtures are discussed in additional detail: one providing an example of strong hydrogen bonding and the other an example of extreme pressure changes, with the ANN models predicting self-diffusion well in both cases.

Studies of Mixing Properties of Binary Systems of 2-Butoxy Ethanol with Amines at 298.15, 303.15, and 308.15 K

The nature of interaction of binary liquid mixtures of 2-butoxy ethanol with amines, namely, diisopropylamine, dibutylamine, and tributylamine, has been examined using the experimentally measured values of density (ρ), ultrasonic speed (u), and viscosity (η) over the temperature range from 298.15 to 308.15 K, in the present discussion. Using the experimentally measured values, various excess and deviation properties have been evaluated and discussed in terms of interaction among the studied binary mixtures. Strong intermolecular interaction among unlike components of binary mixtures is confirmed by these calculated properties. The order of the magnitude of these properties gives an insight into the order of interaction of mixtures of 2-butoxy ethanol with amines. Excess and deviation properties have been correlated with composition using the Redlich–Kister polynomial. The correlation ability of various viscosity models has also been compared. The Fourier transform infrared spectra of these liquid mixtures have also been studied at room temperature.

Optimization of Thermo-Physical Properties For The Binary System Of Acetone–Water At 303.15-318.15 K By Response Surface Quadratic Model

Thermo bodily residences of binary liquid combos are very beneficial in biotechnology, pharmaceutical, chemical and petroleum refining industries for improved favoured products from diverse raw materials. The physical property data on mixed solvents are important for the theoretical and applied areas of research and are frequently used in many chemical and industrial processes such as design of new process and process equipment (fluid flow, mass transfer or heat transfer calculation) and designing of bioreactor/fermenter. The objective of the current paper is to determine the density, viscosity, ultrasonic velocity, refractive index and surface tension of acetone (1) + water (2) at temperatures of 303.15K to 318.15K for the complete composition degrees and atmospheric pressure. These experimental values were used to calculate the respective excess homes in conjunction with a few acoustic properties. The experimental facts and excess residences have been used to calculate the interacting coefficients and well known deviations from different existing models. Also the new model equations have been evolved with the aid of the use of Design Expert application for density, viscosity, ultrasonic velocity, refractive indices and surface tension. Experimental consequences have been analysed on the premise of molecular interactions among element molecules with the assistance of FT-IR spectrum. Acetone-water binary structures of the prevailing observer have positive values of excess molar volumes and deviations in isentropic compressibility over whole composition range and at all temperatures which suggests sturdy interactions among the components of binary mixtures. Thermodynamic observations of acetone and water mixtures were made. Negative viscosity deviation of acetone-water combinations suggests robust dipole-dipole interactions within the device. Fourier remodel infrared spectroscopy also indicates the sturdy interaction made at 3589 cm-1 and based on the response surface method outcomes, more interplay takes area at zero. Five and zero six moles of acetone and water combination and the consequences are conformed with reference to the R2 cost (0.89). Excess molar extent and isentropic compressibility were decided and kinds of interactions have been discussed primarily based on the derived properties.

Self-diffusion and molecular association in the binary systems dimethyl sulfoxide – chloroform and acetone – chloroform

The self-diffusion of components of such binary mixtures as dimethyl sulfoxide (DMSO) – chloroform and acetone – chloroform has been investigated by pulsed gradient spin-echo nuclear magnetic resonance (PGSE NMR) method and molecular dynamics (MD) simulation at ambient conditions. The self-diffusion coefficients obtained by the experimental and theoretical methods are well agreed with each other. Detailed analysis of structural characteristics (fraction of molecules with i hydrogen bonds, the average number of hydrogen bonds), as well as interaction energy in hydrogen-bonded complexes of DMSO – DMSO, DMSO – chloroform, acetone – acetone, acetone – chloroform made it possible to estimate the influence of the self- and heteroassociation on the self-diffusion of the mixture components. A set of methods showed that it is necessary to take into account not only heteroassociates with a composition of 1:1 just like acetone – chloroform mixture for sufficient approximation of the experimental data for DMSO – chloroform mixture. It has been established that for cosolvents (DMSO and acetone) with a similar molecular structure, a different behavior of concentration dependences of the self-diffusion coefficients in binary systems is connected with the features of self-association and heteroassociation.