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Journal articles on the topic 'Molecular mixture'

Author: Grafiati

Published: 9 March 2023

Last updated: 31 July 2025

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1

Agarwa, Seema, and Dhirendra Kumar Sharma. "Ultrasonic velocities and refractive indies of binary liquid mixtures of 1, 4-dioxane with 1 – alkanols (C3, C4, C6 , C8 ) at 303.15 K." International Journal of Advanced Chemistry 9, no. 2 (2022): 201. http://dx.doi.org/10.14419/ijac.v9i2.31715.

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Density (ρ), ultrasonic velocities (u) and refractive indices (n) of the binary mixture between cyclic ether with 1-propanol, 1-butanol, 1-hexanol, 1-octanol for the entire concentration range have been measured at 303.15K, furthermore, deviation in refractive indies from ideal mixture, molar refraction, deviation in molar refraction from ideal values for these mixture has also been evaluated. The deviations from ideality of the acoustical parameters are explained on the basis of molecular interaction between the component molecules in these binary liquid mixtures. The molecular refraction (Rm

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2

Ma, Sijia. "Inter-molecular interactions between water and ethanol." Advances in Engineering Technology Research 4, no. 1 (2023): 515. http://dx.doi.org/10.56028/aetr.4.1.515.2023.

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The structure and properties of alcohol-water mixtures are of great significance in the study of mass transfer theory and industrial applications. When dissolving in water, alcohols form hydrogen bonds with water, further complicating the properties of the binary mixture. The properties of the mixture they form are quite different from those of the corresponding pure substance. However, although ethanol-aqueous solutions have been widely used, the physical and chemical properties of ethanol-aqueous solutions have not been thoroughly explained. In this paper, various physical changes of ethanol

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3

Fang, Yingping, Gota Kikugawa, Hiroki Matsubara, Takeshi Bessho, Seiji Yamashita, and Taku Ohara. "108 Molecular Thermal Energy Transfer in Binary Mixture of Simple Liquids." Proceedings of Conference of Tohoku Branch 2016.51 (2016): 15–16. http://dx.doi.org/10.1299/jsmeth.2016.51.15.

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4

Prajapati, A. N. "Study of Molecular Interaction in Binary Mixtures (1-Propanol + Acetophenone)." Advanced Materials Research 1141 (August 2016): 125–30. http://dx.doi.org/10.4028/www.scientific.net/amr.1141.125.

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Studies on Physico-chemical properties of binary liquid mixtures provide information on the nature of interactions between the constituent of the binaries. Literature provides extensive data on the static dielectric constant (ε0) and refractive index (n) of liquid compounds, but the combined study of all is quite scarce. In the present work static dielectric constant (ε0) and refractive index (n) have been experimentally determined for binary liquid mixture of 1-Propanol (PrOH) with Acetophenone (ACP) over the entire concentration range of mixture composition (0.0 →1.0) at constant temperature

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Staubach, Jens, and Simon Stephan. "Interfacial properties of binary azeotropic mixtures of simple fluids: Molecular dynamics simulation and density gradient theory." Journal of Chemical Physics 157, no. 12 (2022): 124702. http://dx.doi.org/10.1063/5.0100728.

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Interfacial properties of binary azeotropic mixtures of Lennard-Jones truncated and shifted fluids were studied by molecular dynamics (MD) simulation and density gradient theory (DGT) in combination with an equation of state. Three binary mixtures were investigated, which differ in the energetic cross interaction parameter that yields different types of azeotropic behavior. This study covers a wide temperature and composition range. Mixture A exhibits a heteroazeotrope at low temperatures, which changes to a low-boiling azeotrope at high temperatures, mixture B exhibits a low-boiling azeotrope

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6

Onyemenonu, C. C., E. C. Nleonu, C. Onuguh, and A. U. Ezeibe. "Volumetric Behaviour of Binary Mixture of Dual Purpose Kerosene (DPK) and Automotive Gas Oil (AGO) at 303K." Science View Journal 4, no. 3 (2023): 348–52. http://dx.doi.org/10.55989/eqbt7954.

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The study of volume changes in binary mixtures is attracting considerable interest from researchers due to the degree of molecular interaction between the mixed solvent molecules and their importance in many chemical industries and engineering disciplines. The experimental values of densities (ρ) and viscosities (η) of pure and binary mixtures of dual-purpose kerosene (DPK) and automotive gas oil (AGO) were obtained over the whole range of mixture composition at a temperature of 303 K. The experimental data obtained were employed to determine the excess molar volume (V_m^E), excess viscosity (

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7

Li, Hang, Zhuonan Song, Xiaojie Zhang, et al. "Ultrathin, Molecular-Sieving Graphene Oxide Membranes for Selective Hydrogen Separation." Science 342, no. 6154 (2013): 95–98. http://dx.doi.org/10.1126/science.1236686.

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Ultrathin, molecular-sieving membranes have great potential to realize high-flux, high-selectivity mixture separation at low energy cost. Current microporous membranes [pore size < 1 nanometer (nm)], however, are usually relatively thick. With the use of current membrane materials and techniques, it is difficult to prepare microporous membranes thinner than 20 nm without introducing extra defects. Here, we report ultrathin graphene oxide (GO) membranes, with thickness approaching 1.8 nm, prepared by a facile filtration process. These membranes showed mixture separation selectivities as high

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8

Saravanan, Chinnusamy, Mohan Deepa, Palaninathan Kannan, and Sengodan Senthil. "Donor/Acceptor Interaction-assisted Mesophase Formation in Liquid Crystals Containing Azobenzenes and Their Polymers." Zeitschrift für Naturforschung B 63, no. 5 (2008): 571–76. http://dx.doi.org/10.1515/znb-2008-0515.

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Azobenzene-based monomers and their polymers containing donor or acceptor groups at terminal positions have been synthesized. The liquid crystalline (LC) mesophase stability of one type of polymer and mixtures of donor or acceptor substituted polymers have been investigated. Mesophase formation and stability of the mixtures were studied using differential scanning calorimetry (DSC) and a hot-stage optical polarizing microscope (HOPM). The mesophase stability of the mixtures was better than those of the individual components. Binary mixture studies of acceptor monomers (a) and donor monomers (d

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9

Fornasari, Lorenzo E., Bruna J. da S. Bronsato, Lucia G. Appel, and Roberto R. de Avillez. "Molecular Dynamics Approach to the Physical Mixture of In2O3 and ZrO2: Defect Formation and Ionic Diffusion." International Journal of Molecular Sciences 24, no. 3 (2023): 2426. http://dx.doi.org/10.3390/ijms24032426.

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Recent research on the use of physical mixtures In2O3-ZrO2 has raised interesting questions as to how their combination enhances catalytic activity and selectivity. Specifically, the relationship between oxygen diffusion and defect formation and the epitaxial tension in the mixture should be further investigated. In this study, we aim to clarify some of these relationships through a molecular dynamics approach. Various potentials for the two oxides are compared and selected to describe the physical mixture of In2O3 and ZrO2. Different configurations of each single crystal and their physical mi

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10

Cook, Sonja V., Angus Chu, and Ron Goodman. "Toxicity of Flare and Crude Hydrocarbon Mixtures." Scientific World JOURNAL 2 (2002): 1418–25. http://dx.doi.org/10.1100/tsw.2002.220.

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The toxicity of whole, saturate, and aromatic hydrocarbon mixtures from flare pit and crude oil sources were evaluated usingLumbricus terrestris. Body burden analysis was used to analyze the intrinsic toxicity of the six hydrocarbon mixtures. The major fractions of the whole mixtures, the saturate, and aromatic fractions had different intrinsic toxicities; the aromatics were more toxic than the saturates. The toxicity of the saturate and aromatic fractions also differed between the mixtures. The flare saturate mixture was more toxic than the crude saturate mixture, while the crude aromatic mix

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11

López, Concepción, Rosa Claramunt, M. García, and José Elguero. "Pyrazoles as molecular probes to study the properties of co-crystals by solid state NMR spectroscopy." Open Chemistry 2, no. 4 (2004): 660–71. http://dx.doi.org/10.2478/bf02482729.

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AbstractEquimolar mixtures of 3,5-dimethylpyrazole (1) with four NH-imidazoles (2–5) have been studied by13C and 15N CPMAS NMR and by DSC. In three cases, the solid mixture behaves as the sum of the individual components [imidazole (2), 2-methylimidazole (3) and 2,4(5)-dimethylimidazole (5)]. In one case [4,5-dimethylimidazole (4)], the mixture corresponds to a new species in which the dynamic behavior of1 no longer exists.

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12

Segu, Venkata Ranganayakulu *. Sanathana Ravi. "ULTRASONIC AND THERMODYNAMIC STUDIES IN ORGANIC BINARY LIQUID MIXTURE." INTERNATIONAL JOURNAL OF ENGINEERING SCIENCES & RESEARCH TECHNOLOGY 6, no. 5 (2017): 700–705. https://doi.org/10.5281/zenodo.800617.

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The ultrasonic velocity (u), density (ρ), and viscosity (η) have been measured for the binary mixtures of Butanol +N,N Dimethyl acetamide m, Pentanol + N, N Dimethyl acetamide,and Hexanol + N, N Dimethyl acetamide at 30<sup>0</sup>C. The experimental data have been used to calculate the acoustical parameters namely adiabatic compressibility (β), intermolecular free length (Li), acoustical impedance (Z) ultrasonic absorption ([α/f<sup>2</sup>]), the excess values of some of the above parameters have also been evaluated. The results obtained here are used to explain the molecular interaction bet

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13

Giraudet, Pascale, Frédéric Berthommier, and Michel Chaput. "Mitral Cell Temporal Response Patterns Evoked by Odor Mixtures in the Rat Olfactory Bulb." Journal of Neurophysiology 88, no. 2 (2002): 829–38. http://dx.doi.org/10.1152/jn.2002.88.2.829.

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Mammals generally have the ability to extract odor information contained in complex mixtures of molecular components. However, odor mixture processing has been studied electrophysiologically only in insects, crustaceans, and fish. As a first step toward a better understanding of this processing in high vertebrates, we studied the representation of odor mixtures in the rat olfactory bulb, i.e., the second-order level of the olfactory pathways. We compared the single-unit responses of mitral cells, the main cells of the olfactory bulb, to pure odors and to their binary mixtures. Eighty-six mitra

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14

Smith, William R., Magda Francová, Marian Kowalski, and Ivo Nezbeda. "Refrigeration cycle design for refrigerant mixtures by molecular simulation." Collection of Czechoslovak Chemical Communications 75, no. 4 (2010): 383–91. http://dx.doi.org/10.1135/cccc2009544.

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We describe a molecular simulation methodology to calculate the properties of a vapor-compression refrigeration cycle and its Coefficient of Performance, in the case when the refrigerant is a mixture. The methodology requires only a molecular force-field model for each refrigerant pure component and, for improved accuracy, an expression for the vapor pressure of each pure component as a function of temperature. Both may be constructed by means of theoretical approaches in combination with minimal amounts of experimental data, and the latter may also be estimated by empirical formulae with reas

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15

Oldoni, Fabio, and Daniele Podini. "Forensic molecular biomarkers for mixture analysis." Forensic Science International: Genetics 41 (July 2019): 107–19. http://dx.doi.org/10.1016/j.fsigen.2019.04.003.

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16

Guo, Qianjin, Qiang Liu, and Yixin Zhao. "Insights into the Structure and Dynamics of Imidazolium Ionic Liquid and Tetraethylene Glycol Dimethyl Ether Cosolvent Mixtures: A Molecular Dynamics Approach." Nanomaterials 11, no. 10 (2021): 2512. http://dx.doi.org/10.3390/nano11102512.

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In this work, the effect of molecular cosolvents tetraethylene glycol dimethyl ether (TEGDME) on the structure and versatile nature of mixtures of these compounds with imidazolium-based ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) is analyzed and discussed at a molecular level by means of all-atom molecular dynamics (MD) simulations. In the whole concentration range of the binary mixtures, the structures and properties evolution was studied by means of systematic molecular dynamics simulations of the fraction of hydrogen bonds, the radial and spatial distribution

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17

Marekha, Bogdan A., Oleg N. Kalugin, Marc Bria, and Abdenacer Idrissi. "Probing structural patterns of ion association and solvation in mixtures of imidazolium ionic liquids with acetonitrile by means of relative1H and13C NMR chemical shifts." Physical Chemistry Chemical Physics 17, no. 35 (2015): 23183–94. http://dx.doi.org/10.1039/c5cp02748a.

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Competition between ion solvation and association in mixtures of imidazolium ionic liquids and molecular solvents can be systematically addressed by the analysis of relative chemical shift variation with mixture composition.

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18

Briliak, Dušan, and Eva Remišová. "Stiffness Modulus of Aged Asphalt Mixtures." Solid State Phenomena 329 (March 25, 2022): 93–100. http://dx.doi.org/10.4028/p-pc709y.

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Asphalt mixtures have a dominant position in road construction in most countries. The choice of asphalt mixture type and surface depends mainly on the traffic loading and climatic conditions. The stiffness of asphalt mixture is one of important parameters that determines how road pavement performs and what pavement response to traffic loading. The stiffness modulus of the asphalt mixture changes during its service life, it tends to increase. During this process the mixtures in pavement age and degrade. Aging of asphalt mixtures has a significant effect on changes in the properties of individua

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19

Sizova, A. A., S. A. Grintsevich, M. A. Kochurin, V. V. Sizov, and E. N. Brodskaya. "Molecular Simulations of CO2/CH4, CO2/N2 and N2/CH4 Binary Mixed Hydrates." Colloid Journal 83, no. 3 (2021): 372–78. http://dx.doi.org/10.1134/s1061933x21030145.

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Abstract Grand canonical Monte Carlo simulations were performed to study the occupancy of structure I multicomponent gas hydrates by CO2/CH4, CO2/N2, and N2/CH4 binary gas mixtures with various compositions at a temperature of 270 K and pressures up to 70 atm. The presence of nitrogen in the gas mixture allows for an increase of both the hydrate framework selectivity to CO2 and the amount of carbon dioxide encapsulated in hydrate cages, as compared to the CO2/CH4 hydrate. Despite the selectivity to CH4 molecules demonstrated by N2/CH4 hydrate, nitrogen can compete with methane if the gas mixtu

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20

Zhang, Jiawei, and Bo Wang. "Molecular dynamic simulation of the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture." E3S Web of Conferences 261 (2021): 02004. http://dx.doi.org/10.1051/e3sconf/202126102004.

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The microscopic molecular characteristic will impact on the mechanical property of hydrate. Thus, molecular dynamics simulation is employed to investigate the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture system. The brittle fracture occurred during the tensile deformation of the system. Besides, the maximum stress of the hydrate/ water/ ice mixture system is lower than that of intact hydrate system. The fracture strain of studied system is smaller than that of pure hydrate system. The order parameters F3 and F4 can be used for determining the fracture

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21

Bhatt, Bishan Datt. "Computation of excess isentropic compressibility via Flory's statistical theory to investigate molecular interactions in n-alcohol–benzylamine mixtures." African Journal of Empirical Research 5, no. 4 (2025): 2043–49. https://doi.org/10.51867/ajernet.5.4.170.

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Excess isentropic compressibility is a key thermodynamic property that offers valuable insight into molecular interactions within liquid mixtures. Understanding these interactions is crucial for characterizing solution structure, designing chemical processes, and developing predictive thermodynamic models. Statistical models play a vital role in interpreting thermodynamic behavior by connecting macroscopic properties with molecular-level interactions. They allow for the prediction and analysis of complex mixture behavior while minimizing the need for extensive experimental data. In this study,

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22

GUPTA, RINI, and AMALENDU CHANDRA. "SINGLE-PARTICLE AND PAIR DYNAMICAL PROPERTIES OF ACETONE–METHANOL MIXTURES CONTAINING CHARGED AND NEUTRAL SOLUTES: A MOLECULAR DYNAMICS STUDY." Journal of Theoretical and Computational Chemistry 10, no. 03 (2011): 261–78. http://dx.doi.org/10.1142/s0219633611006438.

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The dynamical properties of acetone–methanol mixtures containing either an ionic or a neutral hydrophobic solute are investigated by means of a series of molecular dynamics simulations. The primary goal has been to study how the solute and solvent dynamical properties change with variation of composition of the mixture ranging from pure acetone to pure methanol. The variations of structure and energetics of the mixture with composition are also calculated. The diffusion coefficients of both ionic and neutral solutes are found to show nonlinear variation with composition of the mixture, althoug

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23

Lizunkova, Polina, Elin Engdahl, Gábor Borbély, et al. "A Mixture of Endocrine Disrupting Chemicals Associated with Lower Birth Weight in Children Induces Adipogenesis and DNA Methylation Changes in Human Mesenchymal Stem Cells." International Journal of Molecular Sciences 23, no. 4 (2022): 2320. http://dx.doi.org/10.3390/ijms23042320.

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Endocrine Disrupting Chemicals (EDCs) are man-made compounds that alter functions of the endocrine system. Environmental mixtures of EDCs might have adverse effects on human health, even though their individual concentrations are below regulatory levels of concerns. However, studies identifying and experimentally testing adverse effects of real-life mixtures are scarce. In this study, we aimed at evaluating an epidemiologically identified EDC mixture in an experimental setting to delineate its cellular and epigenetic effects. The mixture was established using data from the Swedish Environmenta

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Landis, D. A., D. J. Schneider, and C. J. Seliskar. "Excimer Pumped Dye Mixtures for the Wavelength Region 340–380 nm." Laser Chemistry 11, no. 2 (1991): 63–69. http://dx.doi.org/10.1155/lc.11.63.

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Two binary mixtures of ultraviolet laser dyes in p-dioxane solution are described. The tuning curve of each mixture spans more than 30 nm of useful tuning range in the 340–380 nm wavelength region. Both mixtures are robust with half-lives comparable to, or in excess of, associated single dye values. These mixtures degrade symmetrically with dye laser operation, making them useful throughout the entire life of the mixture. A simple model for the mixture lasing, based on independent fluorescences of the component dyes, is able to semi-quantitatively match the tuning curves of the dye mixtures. T

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Tian, Guo Cai, Zhi Liang Jiao, and Ya Dong Li. "Study on the Structure and Spectrum of Water in 1-Ethyl-3-Methylimidazolium Tetrafluoroborate Ionic Liquids." Advanced Materials Research 271-273 (July 2011): 92–97. http://dx.doi.org/10.4028/www.scientific.net/amr.271-273.92.

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Various 1-ethyl-3-methylimidazolium tetrafluoroborate ([Emim]BF4)/water mixture with varying concentrations were studied by molecular dynamics simulations. The radial distribution function, the power spectrum velocity-velocity correlation function were calculated to reveal the microstructure and the IR spectrum. In both liquids, with the concentration of water in the mixture increase, the rotation bands and the bending bands of water are red shift whereas the O-H stretch bands are blue shift. It was found that the molecular rotation motions become slower as the proportion of water increases an

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Kosov, V. N., S. A. Krasikov, O. V. Fedorenko, and A. B. Kalimov. "CONVECTIVE MIXING IN AN INCLINED CHANNEL CAUSED BY TERNARY DIFFUSION UNDER CONDITION OF INCREASING DENSITY OF THE MIXTURE WITH HEIGHT." BULLETIN Series of Physics & Mathematical Sciences 69, no. 1 (2020): 224–30. http://dx.doi.org/10.51889/2020-1.1728-7901.39.

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Using methods of numerical simulation, we studied the quasi-stationary mass transfer of isothermal ternary gas mixtures in the vertical and inclined channels for the zone of flow exit from a given channel into the lower flask of a diffusion cell. Convective mixing is considered under conditions involving an increase in the density of the mixture with the height of the channel. The characteristic features of structured flows were studied at a certain content of the component with the highest molecular weight in the mixture. The convective formations in the vertical and inclined channels are com

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Shannon, Maeve, Yuling Xie, Steven Verhaegen, et al. "A Human Relevant Defined Mixture of Persistent Organic Pollutants (POPs) Affects In Vitro Secretion of Glucagon-Like Peptide 1 (GLP-1), but Does Not Affect Translocation of Its Receptor." Toxicological Sciences 172, no. 2 (2019): 359–67. http://dx.doi.org/10.1093/toxsci/kfz192.

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Abstract Environmental exposure to persistent organic pollutants (POPs) has been suggested as a contributing factor for the increased rate of type 2 diabetes and obesity. A complex mixture of 29 POPs (Total mixture), based on human blood concentrations, was used to expose a glucagon-like peptide 1 (GLP-1) secreting enteroendocrine cell line (pGIP/neo: STC-1) in vitro for 3 and 24 h. Significant increases of GLP-1 occurred when cells were exposed to the Total mixture at ×500 blood levels. Six sub-mixtures representing chlorinated (Cl), brominated (Br), and perfluorinated chemicals (PFAA), and t

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Fan, Zhenyang, Xuancang Wang, Zhuo Zhang, and Yi Zhang. "Effects of Cement–Mineral Filler on Asphalt Mixture Performance under Different Aging Procedures." Applied Sciences 9, no. 18 (2019): 3785. http://dx.doi.org/10.3390/app9183785.

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Cement-containing mineral powder can effectively improve the moisture stability of an asphalt mixture; therefore, this study systematically summarizes the research status of cement–mineral fillers on the performance of an asphalt mixture and determines the limitations of related studies. In this study, long-term performance tests of styrene-butadiene-styrene- (SBS)-modified asphalt mixtures are designed and evaluated with different blending ratios of the cement–mineral powder under three aging conditions. Moreover, the effect of the cement–mineral composite filler on long-term performance of t

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Kumar, Amit, Alberto Cincotti, and Santiago Aparicio. "A Theoretical Study on Trehalose + Water Mixtures for Dry Preservation Purposes." Molecules 25, no. 6 (2020): 1435. http://dx.doi.org/10.3390/molecules25061435.

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The properties of trehalose + water mixtures are studied as a function of mixture composition and temperature using molecular dynamics simulations. As trehalose disaccharide has been proposed for dry preservation purposes, the objective of this work is to analyse the nanoscopic properties of the considered mixtures, in terms of aggregation, clustering, interactions energies, and local dynamics, and their relationships with hydrogen bonding. The reported results allow a detailed characterization of hydrogen bonding and its evolution with mixture composition and thus inferring the effects of tre

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Cherniakova, M. Yu, A. V. Kyrychenko, and K. N. Belikov. "Microstructure, dynamics, and temperature behavior of L-menthol, salicylaldoxime, and their binary mixture: a molecular dynamics simulation study." Functional Materials 32, no. 1 (2025): 77–86. https://doi.org/10.15407/fm32.01.77.

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Deep eutectic solvents are mixtures of various substances classified as liquid supramolecular systems, which have a wide range of scientific, practical, and technological applications. This study investigated the molecular aspects involved in creating a deep eutectic binary mixture of L-menthol and salicylaldoxime using classical molecular dynamics simulations. We focused on the microstructure and dynamics of intermolecular interactions for both the individual components and their binary mixture at temperatures of 298, 333, and 353 K. Our findings revealed that, at a macroscopic scale, there i

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M. S. Manjunatha, K.S. Anjali, and C. Ningappa. "Molecular interaction studies between acetylcholine with primary alcohols." GSC Biological and Pharmaceutical Sciences 24, no. 3 (2023): 323–25. http://dx.doi.org/10.30574/gscbps.2023.24.3.0244.

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Ultrasonic velocity, density and viscosity of binary mixtures of Acetylcholine and Propanol have been measured at room temperature 303K. Using the measured velocity the thermodynamic parameters such as adiabatic compressibility (β), inter molecular free length (Lf), Acoustic impedance (Z), free volume (VE) have been calculated. It has been established that ultrasonic velocity decreases with increasing the mole fraction. The results show a nonlinear variation of acoustical parameters, confirms the presence of molecular associative nature in this binary mixture.

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FRANK, ROBERT A., and GARY ARCHAMBO. "Mixture Integration in Heterogeneous Taste Quality Mixtures." Annals of the New York Academy of Sciences 510, no. 1 Olfaction and (1987): 296–99. http://dx.doi.org/10.1111/j.1749-6632.1987.tb43535.x.

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Silva, Liliana P., Catarina F. Araújo, Dinis O. Abranches, et al. "What a difference a methyl group makes – probing choline–urea molecular interactions through urea structure modification." Physical Chemistry Chemical Physics 21, no. 33 (2019): 18278–89. http://dx.doi.org/10.1039/c9cp03552d.

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There is a lack of fundamental knowledge on deep eutectic solvents, even for the most extensively studied mixtures, such as the mixture of cholinium chloride and urea, which prevents a judicious choice of components to prepare new solvents.

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Kobtsev, Vitaly, Sergey Kostritsa, Dmitrii Kozlov, et al. "CARS and Fluorescent study of ignition of H2/O2 mixtures upon photodissociation of O2 molecular." MATEC Web of Conferences 209 (2018): 00010. http://dx.doi.org/10.1051/matecconf/201820900010.

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The research is devoted to gas mixtures ignition by UV laser radiation. The dissociation of O2 molecules by a pulse of excimer ArF laser radiation at 193-nm wavelength with formation of the chemically active oxygen atoms initiating chain reactions which cause ignition of H2/O2 mixture was employed. The experimental test bench was created with CARS and fluorescent techniques for experimental investigation of some peculiarities of mixture ignition and combustion caused by such photo-dissociation, at conditions typical for combustion chamber. Two-dimensional numerical modeling of combustion proce

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Santhi, N., PL Sabarathinam, M. Emayavaramban C. Gopi, and C. Manivannan. "Molecular Interaction Studies in Binary Liquid Mixtures from Ultrasonic Data." E-Journal of Chemistry 7, no. 2 (2010): 648–54. http://dx.doi.org/10.1155/2010/487874.

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Ultrasonic velocities and densities of the binary liquid mixtures of dimethy1 sulphoxide (DMSO) with phenol,o-cresol,m-cresol,p-cresol andp-chlorophenol at 318.15 K, over the entire composition range were measured. The theoretical values of ultrasonic velocity were evaluated using the Nomoto’s Relation (NR), Ideal Mixture Relation (IMR), Free Length Theory (FT) and Collision Factor Theory (FLT). The validity of these relations and theories was tested by comparing the computed sound velocities with experimental values. Further, the molecular interaction parameter (α) was computed by using the e

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Dai, Jinming, Wei Hong, and Youbo Di. "Structure Effect of Diacid/Triacid on Self-Assembly of Binary Organogels Based on Glutamic Acid Amino Derivative." Journal of Nanomaterials 2013 (2013): 1–6. http://dx.doi.org/10.1155/2013/989035.

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The gelation behaviors of binary organogels composed of N-(4-aminobenzoyl)-L-glutamic acid diethyl ester with sebacic acid and citric acid in various organic solvents were designed and investigated. Their gelation behaviors in 20 solvents were tested as new binary organic gelators. It showed that the molecular structures and organic solvents have played a crucial role in the gelation behavior of all gelator mixtures. More carboxyl groups in molecular skeletons in the present mixture gelators are unfavorable for the gelation of organic solvents. The mixture containing sebacic acid can form 5 ki

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M., S. Manjunatha, Anjali K.S., and Ningappa C. "Molecular interaction studies between acetylcholine with primary alcohols." GSC Biological and Pharmaceutical Sciences 24, no. 3 (2023): 323–25. https://doi.org/10.5281/zenodo.10494716.

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Ultrasonic velocity, density and viscosity of binary mixtures of Acetylcholine and Propanol have been measured at room temperature 303K. Using the measured velocity the thermodynamic parameters such as adiabatic compressibility (β), inter molecular free length (L<sub>f</sub>), Acoustic impedance (Z), free volume (V<sub>E</sub>) have been calculated. It has been established that ultrasonic velocity decreases with increasing the mole fraction. The results show a nonlinear variation of acoustical parameters, confirms the presence of molecular associative nature in this binary mixture.

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Evans, Jason, and Jack Sullivan. "Generalized Mixture Models for Molecular Phylogenetic Estimation." Systematic Biology 61, no. 1 (2011): 12–21. http://dx.doi.org/10.1093/sysbio/syr093.

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Swisher, Joseph A., Li-Chiang Lin, Jihan Kim, and Berend Smit. "Evaluating mixture adsorption models using molecular simulation." AIChE Journal 59, no. 8 (2013): 3054–64. http://dx.doi.org/10.1002/aic.14058.

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Chen, Qun, and Yuzhi Li. "SGC Tests for Influence of Material Composition on Compaction Characteristic of Asphalt Mixtures." Scientific World Journal 2013 (2013): 1–10. http://dx.doi.org/10.1155/2013/735640.

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Compaction characteristic of the surface layer asphalt mixture (13-type gradation mixture) was studied using Superpave gyratory compactor (SGC) simulative compaction tests. Based on analysis of densification curve of gyratory compaction, influence rules of the contents of mineral aggregates of all sizes and asphalt on compaction characteristic of asphalt mixtures were obtained. SGC Tests show that, for the mixture with a bigger content of asphalt, its density increases faster, that there is an optimal amount of fine aggregates for optimal compaction and that an appropriate amount of mineral po

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Kazarina, Olga V., Anna A. Golovacheva, Zakhar A. Markin, et al. "How the Presence of CO2 Absorption Promoters and Composition of the Choline Chloride/Amine/Molecular Solvent Mixtures Influence Its Thermophysical Properties and Ability to Absorb Carbon Dioxide." Environments 10, no. 5 (2023): 88. http://dx.doi.org/10.3390/environments10050088.

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The present research provides data on the density (ρ), viscosity (η) and ability to absorb carbon dioxide of systems containing amine, molecular solvent (MS) and choline chloride (ChCl), with the investigation of the physical properties of both neat amine/MS/ChCl mixtures and their samples after complete CO2 saturation. The effect of the mixture composition was studied by varying amine from primary (monoethanolamine, MEA) to secondary (diethanolamine, DEA) and tertiary (triethanolamine, TEA) amine, and the degree of its substitution from a mono- (MEA, DEA and TEA) to a doubly-substituted (ethy

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Samantaray, B., M. K. Praharaj, B. R. Das, and S. P. Das. "Comparative Study of Molecular Interaction in Ternary Liquid Mixtures of Polar and Non-Polar Solvents." Journal of Scientific Research 14, no. 3 (2022): 917–29. http://dx.doi.org/10.3329/jsr.v14i3.57587.

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Ultrasonic velocity measurements, density measurements, and viscometric studies were conducted for the ternary mixture of pyridine and toluene separately with N, N-dimethylformamide (DMF) in butanol, at different temperatures and for different concentrations of component liquids. Using these basic experimental data, various acoustic and thermodynamic parameters, such as adiabatic compressibility (β), free length (Lf,), free volume (Vf), etc. were calculated. Also, Excess thermo-acoustical parameters were calculated from the experimentally measured data. The outcomes were expressed in terms of

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Sampoux, Jean-Paul, Héloïse Giraud, and Isabelle Litrico. "Which Recurrent Selection Scheme To Improve Mixtures of Crop Species? Theoretical Expectations." G3: Genes|Genomes|Genetics 10, no. 1 (2019): 89–107. http://dx.doi.org/10.1534/g3.119.400809.

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In a context of increasing environmental challenges, there is an emerging demand for plant cultivars that are adapted to cultivation in species mixture. It is thus pressing to look for the optimization of selection schemes to grow species mixtures, and especially recurrent selection schemes which are at the core of the improvement of many plant species. We considered the case of two populations from different species to be improved by recurrent selection for their performances in mixture. We set up an analytical model of performances in mixture. We expressed the expected responses of the perfo

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Magann, Alicia B., Gerard McCaul, Herschel A. Rabitz, and Denys I. Bondar. "Sequential optical response suppression for chemical mixture characterization." Quantum 6 (January 20, 2022): 626. http://dx.doi.org/10.22331/q-2022-01-20-626.

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The characterization of mixtures of non-interacting, spectroscopically similar quantum components has important applications in chemistry, biology, and materials science. We introduce an approach based on quantum tracking control that allows for determining the relative concentrations of constituents in a quantum mixture, using a single pulse which enhances the distinguishability of components of the mixture and has a length that scales linearly with the number of mixture constituents. To illustrate the method, we consider two very distinct model systems: mixtures of diatomic molecules in the

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Huang, Shao Long, Fan Shen, and Qing Jun Ding. "Research on the Application of Recycled PE in High Modulus Asphalt Mixture." Advanced Materials Research 287-290 (July 2011): 1155–63. http://dx.doi.org/10.4028/www.scientific.net/amr.287-290.1155.

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In this paper, recycled PE was added directly to the asphalt mixture to prepare high modulus asphalt mixture. To study the influence of the dosage and molecular weight of recycled PE on the performance of asphalt mixture, three kinds of recycled PE with different molecular weight and three asphalt binders (Conventional, SBS Modified and PE Modified) were used to prepare eight kinds of asphalt mixture. Various tests, including dynamic modulus, wheel tracking and Lottman test, were conducted to evaluate the performance of them. The results showed that 1) the dynamic modulus of asphalt mixture mo

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Аполлонов, В. В., та С. Ю. Казанцев. "Самоорганизация газоразрядной плазмы в SF-=SUB=-6-=/SUB=- и смесях на его основе". Письма в журнал технической физики 45, № 9 (2019): 23. http://dx.doi.org/10.21883/pjtf.2019.09.47708.17727.

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It was shown that the dynamics of a self-initiated volume discharge in SF6-based mixtures can be explained on the base of the ecton model of the cathode spots birth and the current density limiting effect due to the gas mixture molecular components dissociation.

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Wayne, P., S. Cooper, D. Simons, et al. "Dalton’s and Amagat’s laws fail in gas mixtures with shock propagation." Science Advances 5, no. 12 (2019): eaax4749. http://dx.doi.org/10.1126/sciadv.aax4749.

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A shock propagating through a gas mixture leads to pressure, temperature, and density increases across the shock front. Rankine-Hugoniot relations correlating pre- and post-shock quantities describe a calorically perfect gas but deliver a good approximation for real gases, provided the pre-shock conditions are well characterized with a thermodynamic mixing model. Two classic thermodynamic models of gas mixtures are Dalton’s law of partial pressures and Amagat’s law of partial volumes. We measure post-shock temperature and pressure in experiments with nonreacting binary mixtures of sulfur hexaf

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Darafeyeu, Valiantsin, Stephanie Rimle, Guglielmo Mazzola, and Ravit Helled. "The Linear Mixing Approximation in Silica–Water Mixtures at Planetary Conditions." Astrophysical Journal 975, no. 2 (2024): 255. http://dx.doi.org/10.3847/1538-4357/ad7e29.

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Abstract The linear mixing approximation (LMA) is often used in planetary models for calculating the equations of state (EOS) of mixtures. A commonly assumed planetary composition is a mixture of rock and water. Here we assess the accuracy of the LMA for pressure–temperature conditions relevant to the interiors of Uranus and Neptune. We perform molecular dynamics simulations using ab initio simulations and consider pure water, pure silica, and 1:1 and 1:4 silica–water molecular fractions at a temperature of 3000 K and pressures between 30 and 600 GPa. We find that the LMA is valid within a few

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Voronetskaya, Natal’ya G., Galina S. Pevneva, and Mikhail A. Kopytov. "KINETICS OF THERMAL DECOMPOSITION OF HIGH-MOLECULAR COMPONENTS OF HEAVY OILS." ChemChemTech 68, no. 8 (2025): 12–19. https://doi.org/10.6060/ivkkt.20256808.5t.

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Thermal stability of resins, asphaltenes and their mixture was investigated. Resins and asphaltebnes were isolated from crudes of Usinskoye and Zyuzeevskoye oil fields. The choice of crudes was caused by the fact that both of them are heavy, high-sulfur, high-resin and differ in chemical type. The crude from Usinskoye oil field refers to naphthene type, and crude from Zyuzeevskoye oil field refers to methane type. Resins and asphaltenes, isolated from these crudes differ in structural-group characteristics (the number of structural blocks, proportion of aromatic and naphthenic cycles). Resins

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CHATER, Oumaima, Lahsen EL GHADRAOUI, Ahmed HARRACH, and Smail AAZZA. "Extractive optimization of antioxidants and phenolic compounds from Anacyclus pyrethrum." Notulae Scientia Biologicae 15, no. 4 (2023): 11616. http://dx.doi.org/10.55779/nsb15411616.

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Anacyclus pyrethrum (L.) Lag. is a Moroccan endemic species well appreciated as a remedy against toothache, digestive disorders, and as a tonic agent for the nervous system. This work aims to select the best solvents for extracting antioxidants and optimize their extraction using a surface mixture design. In this study, eleven solvents with different polarities were screened for their efficiency to extract total phenolic compounds and other molecules endowed with antioxidant activity. The antioxidant activity was measured using 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging and total antioxid

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