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Littérature scientifique sur le sujet « Molecular mixture »

Auteur : Grafiati

Publié le 9 mars 2023

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Articles de revues sur le sujet "Molecular mixture"

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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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), excess molecular refraction ( ) and excess molar volume (VE) were calculated from the experimental data. The results are discussed in term of molecular interactions between the components of the binary mixtures.

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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 303 K. Static dielectric constant (ε0) and refractive index (n) for the binary mixture have been measured using high precision LCR meter (0.2 MHz) and Abbe’s refractometer respectively. Excess of static dielectric constant (ε0)E and refractive index (n)E are determined and fitted with Redlich-Kister polynomial equation to derive the binary coefficients and standard deviations. For interaction and structural information various parameters namely, Kirkwood correlation factor (g), Kirkwood effective correlation factor (geff), Kirkwood angular correlation factor (gF) and Bruggeman parameter (fB) are determined for the binary mixtures. Variations of these parameters against the concentration of constituents are discussed in terms of molecular interaction between the constituent species.

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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, and mixture C exhibits a high-boiling azeotrope. The phase behavior and fluid interfacial properties as well as their relation were studied. Vapor–liquid, liquid–liquid, and vapor–liquid–liquid equilibria and interfaces were considered. Density profiles, the surface tension, the interfacial thickness, as well as the relative adsorption and enrichment of the components at the interface were studied. The results obtained from the two independent methods (MD and DGT) are overall in good agreement. The results provide insights into the relation of the phase behavior, particularly the azeotropic behavior, of simple fluid mixtures and the corresponding interfacial properties. Strong enrichment was found for the mixture with a heteroazeotrope in the vicinity of the three-phase equilibrium, which is related to a wetting transition.

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Sundaram S, Vasanthi T, Jayaprakash T, Balasubramanian V, and Vijayakumar V N. "Optical and thermal studies on binary liquid crystal mixture." Nanoscale Reports 4, no. 1 (2021): 40–51. http://dx.doi.org/10.26524/nr.4.7.

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The novel binaryliquid crystal mixture is designed and synthesized from 4-methoxycinnamic acid (MCA) and 4-ethoxycinnamic acid (ECA). Quantum chemical (DFT) calculation for MCA+ECA geometry is optimized by DFT/B3LYP with 6-311G (d, p) basis set and its results are good agreement with experimental data. Fourier-transform infrared spectroscopic(FT-IR) study confirm the presence of intermolecular hydrogen bond in the liquid crystal mixture .The paramorphic changes in nematic phase and thermo-optic properties of binary liquid crystal mixture isanalyzed using polarizing optical microscope (POM) and differential scanning calorimetry (DSC) techniques. A noteworthy observation in the present liquid crystal mixture possesses smectic A phase along with nematic phases. Intermolecular hydrogen bond interaction and it’s stabilization energy of present mixture is studied by natural bond orbital (NBO) analysis. Due to the transition,the presen tliquid crystal mixtur einduces smecticA phase. The molecular properties of presen t binary liquid crystal mixtureis analyzed by HOMO-LUMO and experimental UV-Visible studies. Thermal spanwidth, stability factor and quantum chemical properties of the liquid crystal mixture are calculated.Molecular electrostatic potential, mulliken atomic charge distribution of the optimized MCA+ECA geometry is also reported.

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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 as 3400 and 900 for H2/CO2 and H2/N2 mixtures, respectively, through selective structural defects on GO.

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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 mixture are simulated, and oxygen defect formation and diffusion are measured and compared. Significant oxygen defect formation is found in both crystals. In2O3 seems to be stabilized by the mixture, while ZrO2 is destabilized. Similar results were found for the ZrO2 doping with In and ln2O3 doping with Zr. The results explain the high activity and selectivity catalyst activity of the mixture for the production of isobutylene from ethanol.

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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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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 mixture was more toxic than the flare aromatic mixture. The most dramatic difference in toxicity of the two sources was between the flare whole and crude whole mixtures. The crude whole mixture was very toxic; the toxicity of this mixture reflected the toxicity of the crude aromatic fraction. However, the flare whole mixture was not toxic, due to a lack of partitioning from the whole mixture into the lipid membrane of the exposed worms. This lack of partitioning appears to be related to the relatively high concentrations of asphaltenes and polar compounds in the flare pit whole mixture.

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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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Thèses sur le sujet "Molecular mixture"

Legha, Prem, University of Western Sydney, of Science Technology and Environment College, and of Science Food and Horticulture School. "Molecular structure and odor mixture perception." THESIS_CSTE_SFH_Legha_P.xml, 2004. http://handle.uws.edu.au:8081/1959.7/549.

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The sense of smell is a primal sense for humans as well as animals.In everyday life the smells encountered are composed of dozens, even hundreds of odors; few arise from a single odorant. Enormous numbers of odors occur due to the vast variation in the concentration, size and structure of odorant molecules that makes olfaction differ from simpler visual or auditory dimensions. Accordingly, little is known about the ways in which changes in molecular structure and concentration of individual odorants change odor quality. Also, currently not much is understood about synergism/antagonism, how one odorant masks or suppresses another in mixtures and there is no method for predicting which odor will be suppressed. The two main objectives of this thesis were to determine whether a part of a molecular structure rather than the whole structure plays a key role in odor quality and whether a key part of a molecule can be used to choose antagonists for that odorant. For this study three classes of musks and two potential antagonists were used. The results of the study are discussed in some detail. It is concluded that future studies of the importance of molecular structure in mixture interactions require substantially more information on the relation between structure and odor quality to allow systematic studies to be developed. In summary the two hypotheses investigated were not supported by the results. Importantly, however, they do support the view that it is likely that odor quality is dependent on the whole structure of an odorant not a single feature. Master of Science (Hons)

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Legha, Prem. "Molecular structure and odor mixture perception." Thesis, View thesis, 2004. http://handle.uws.edu.au:8081/1959.7/549.

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Legha, Prem. "Molecular structure and odor mixture perception." View thesis, 2004. http://library.uws.edu.au/adt-NUWS/public/adt-NUWS20040723.142239/index.html.

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Thesis (M.Sc. (Hons)) -- University of Western Sydney, 2004. "This thesis was submitted in fulfilment of the requirements for the degree of Master of Science (Hons) in the Centre for Advanced Food Research, University of Western Sydney, June 2004" Includes bibliography.

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Austin, Nick Donnelly. "Tools for Computer-Aided Molecular and Mixture Design." Research Showcase @ CMU, 2017. http://repository.cmu.edu/dissertations/894.

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This thesis explores mathematical optimization techniques to address the computeraided molecular and mixture design problems (CAMD/CAMxD). In particular, we leverage the power of mixed-integer linear programs (MILPs) to quickly and efficiently design over the massive chemical search space. These MILPs, when coupled with state-ofthe- art derivative-free optimization (DFO) methods, make for an efficient optimization strategy when designing mixtures of molecules or when considering a single molecule design problem that involves difficult thermodynamics or process models. In the first chapter, we provide a very general overview of the field of CAMD as addressed from the perspective of mathematical optimization. We discuss many relevant quantitative structure-property relationships (QSPRs) and provide constraints typically used in CAMD/CAMxD optimization problems. The second chapter introduces our DFO-based molecular/mixture design algorithm and describes how this approach enables a much greater molecular diversity to be considered in the search space as compared to traditional methods. Additionally, this chapter looks at a few case studies relevant to crystallization solvents and provides a detailed comparison of 27 different DFO algorithms for solving these problems. The third chapter introduces COSMO-RS/-SAC as alternatives to UNIFAC as the method used to capture mixture thermodynamics for a variety of CAMD/CAMxD problems. To fully incorporate COSMO-RS/-SAC into CAMD, we introduce group contribution (GC) methods for estimating a few necessary parameters for COSMO-based methods. We demonstrate the utility of COSMO-RS/-SAC in a few case studies for which UNIFAC-like methods are insufficient. In the fourth chapter, we investigate reaction solvent design using COSMO-based methods. COSMO-RS is particularly suitable for these problems as they allow for modeling of many relevant species in chemical reactions (transition states, charges, etc.) directly at the quantum level. This information can be immediately passed to the CAMD problem. We investigate a number of solvent design problems for a few difficult reactions. We summarize the work and provide a few future directions in the final chapter. Overall, this thesis serves to push the field of CAMD forward by introducing new methods to more efficiently explore the massive chemical search space and to enable a few new classes of problems which were previously untenable.

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Izadi, Homa. "A novel pseudo-azeotrope mosquito repellent mixture." Thesis, University of Pretoria, 2016. http://hdl.handle.net/2263/81873.

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Repellents play a key role in preventing mosquito-borne diseases such as malaria by reducing human-vector contact. The general mechanism of action relies on providing a repelling vapour around the applied area on the skin. Thus, the proper evaporation rate and consistency of the composition of the released vapour are factors determining the performance of repellent formulations. The formulation should evaporate fast enough to provide a sufficient level of repellence during its life time. However, if evaporation proceeds too fast, then it will be depleted rapidly so that activity is lost within a short period of time, which makes the repellent inefficient. Several controlled-release approaches have been developed to improve both the protection time and level. However, these techniques have inherent drawbacks from the industrial point of view. Moreover, these techniques mostly focus only on reducing the release rate, while the consistency of the vapour composition has not been addressed. In the present study, a novel approach towards controlling the evaporation behaviour of repellents is proposed. It is based on engineering the molecular interactions in order to design negative pseudo-azeotrope formulations. Negative pseudo-azeotrope mixtures are less volatile than the pure parent components and they do not undergo separation during evaporation. The feasibility of the idea was investigated by studying the molecular structure of generally available repellents. Among known molecular interactions, hydrogen bonding has the most likely impact on the formation of azeotropes and in particular pseudo-azeotropes. Thus, established repellents were classified based on their chemical structures and their capability to take part in hydrogen bonding. Next, a simple spectroscopic method for anticipating pseudoazeotropes formation was developed. Binary compositions of nonanoic acid and ethyl butylacetylaminopropionate (IR3535) showed a potential for forming pseudo-azeotrope mixtures. Hence R3535 and nonanoic acid were selected as model compounds to test the hypothesis. An experimental technique to confirm pseudo-azeotrope formation and to locate the composition of the probable pseudo-azeotrope point was required. To this end, an oven test was designed. The temporal mass loss, under an isothermal program, of a series of evaporating mixtures was measured. Simultaneously, the Fourier transform infrared (FTIR) spectra of the liquid remaining was recorded. Inverse analysis techniques were used to determine the composition of remaining liquid mixtures from the recorded FTIR spectra. The oven tests revealed that, as vaporisation progressed, the composition of the liquid remaining and the emitted vapour converged to a fixed IR3535 content of ca. 75 mol%. Mixtures close to this composition also featured the lowest volatility. Oven test also showed that the composition of the liquid mixtures diverged from the fixed IR3535 content of ca. 10 mol%. Mixtures close to this composition featured the highest volatility. These observations showed that IR3535 and nonanoic acid forms two pseudo-azeotrope compositions, i.e. a negative pseudo-azeotrope at an IR3535 content of ca. 75 mol%, and a positive pseudo-azeotrope at IR3535 content of ca. 10 mol%. Thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) were applied to check these results. TGA confirmed that the negative pseudo-azeotrope mixture is less volatile while the positive pseudo-azeotrope is more volatile than the parent compounds. The DSC results revealed that in comparison with the pure compounds, negative pseudo-azeotrope had a lower boiling point onset while the positive pseudo-azeotrope had a higher boiling point. Although negative pseudo-azeotrope repellent formulations have the desired lower constant release rate, their repellent activity needed to be tested. This is due to the fact that mixing the ingredients to formulate a negative pseudo-azeotrope results in interactions among the components. As a consequence, the inherent repellence effect of the compounds might have been impaired in the mixture. The modified arm-in-cage test was used to test the repellence of the controlled-release repellent formulation i.e. the negative pseudo-azeotrope of the IR3535 + nonanoic acid system. Results showed that the mixture featured improved performance with respect to both repellence efficacy and persistence. Moreover, the negative pseudo-azeotrope also exhibited a knock down effect, even resulting in mortality of most of the test mosquitoes. The presence of two pseudo-azeotrope points at different composition in the IR3535 + nonanoic acid system is a rare occurrence, analogous to double azeotropy. Thus, molecular simulation techniques were used to explore the nature of system and the interactions responsible for this unique behaviour. Gibbs-Monte Carlo simulation results suggest that variations in the sizes of the molecular clusters present in the liquid at various compositions might be responsible. They revealed that IR3535 and nonanoic acid in neat form are both highly structured liquids. The break-down in the structure of IR3535 at high concentrations of the acid may be the origin of increased evaporation rate and formation of the positive pseudo-azeotrope. On the other hand, negative pseudo-azeotrope may be resulted from formation of bulkier clusters at the ration of 3:1 (IR3535: nonanoic acid). Thesis (PhD (Chemical Technology))--University of Pretoria, 2016. English PhD (Chemical Technology) Unrestricted

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Adrien, Berthault. "Molecular simulation of mixtures in lipid bilayers." Doctoral thesis, Universitat Rovira i Virgili, 2018. http://hdl.handle.net/10803/664727.

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L'objectiu principal d'aquesta tesi doctoral és estendre un mètode ràpid i fiable (camp simple de mitjana cadena) per estudiar barreges en equilibri i en particular mescles de lípids i petits col·loides inserits en membranes lipídiques, capaços de considerar la presència de components addicionals i unir models de simulació molecular i teories elàstiques per membranes anfifíliques. Per aconseguir aquest objectiu, proposem parametritzar els paràmetres amb el mètode de camp de mitjana cadena simple per reproduir les característiques de les bicapes de lípids DMPC en equilibri comparant amb resultats de simulació publicats prèviament i dades experimentals. La tesi presenta el treball realitzat per assolir els objectius específics d'aquesta tesi doctoral: dades moleculars fiables completament parametritzats capaços de reproduir el comportament de les membranes lipídiques amb un únic tipus de component, l'estudi de les seves propietats d'equilibri interactuant amb molècules addicionals i els seus efectes en la línia de tensió per al cas específic de la creació de porus i un enfocament dinàmic per a l'estudi de la dinàmica de les membranes fetes de diverses cadenes anfifíliques, en particular en presència de porus El objetivo principal de esta tesis doctoral es extender un método rápido y confiable (campo simple de media cadena) para estudiar mezclas en equilibrio y en particular mezclas de lípidos y pequeños coloides insertados en membranas lipídicas, capaces de considerar la presencia de componentes adicionales y unir modelos de simulación molecular y teorías elásticas para membranas anfifílicas. Para lograr este objetivo, proponemos parametrizar los parámetros con el método de campo de media cadena simple para reproducir las características de las bicapas de lípidos DMPC en equilibrio comparando con resultados de simulación publicados previamente y datos experimentales. La tesis presenta el trabajo realizado para alcanzar los objetivos específicos de esta tesis doctoral: datos moleculares fiables completamente parametrizados capaces de reproducir el comportamiento de las membranas lipídicas con un único tipo de componente, el estudio de sus propiedades de equilibrio interactuando con moléculas adicionales y sus efectos en la línea de tensión para el caso específico de la creación de poros y un enfoque dinámico para el estudio de la dinámica de las membranas hechas de varias cadenas anfifílicas, en particular en presencia de poros The main goal of this Doctoral thesis is to extend a fast and reliable method (Single Chain Mean Field) to study mixtures at equilibrium and in particular mixtures of lipids and small colloids inserted into lipid membranes, able to consider the presence of additional components and bridge molecular simulation models and elastic theories for amphiphilic membranes. In order to achieve this objective, we proposed to parametrise the parameters for the Single Chain Mean Field method to reproduce the features of DMPC lipid bilayers at equilibrium involving comparisons with previously published simulation results and experimental data. The thesis reports the work performed to achieve the specific objectives of this doctoral thesis: reliable fully parametrised molecular details able to reproduce the behaviour of lipid membranes made of a single type of component, the study of their equilibrium properties interacting with additional molecules and their effects on the line tension for the specific case of the pore creation and a dynamical approach to study the dynamics of membranes made of various amphiphilic chains, in particular in the presence of pores.

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Sans, Amanda Dzintra. "TRANSFERABLE STEP-POTENTIALS FOR HALOGENATED HYDROCARBONS AND MIXTURE PREDICTIONS FROM SPEADMD." University of Akron / OhioLINK, 2006. http://rave.ohiolink.edu/etdc/view?acc_num=akron1161032534.

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Hill, Christopher Julian. "Molecular and phenotypic stress responses of Daphnia magna to selected pesticides and a binary pesticide mixture." Thesis, University of Reading, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.529956.

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lehman, joshua h. "Optimizing Gas Mixture Composition for the RTPC Detector for BONuS 12 at Jefferson Lab." VCU Scholars Compass, 2019. https://scholarscompass.vcu.edu/etd/5810.

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The main objective of this thesis is to perform a study of and optimize the most direct and practical gas mixture composition inside the Radial Time Projection Chamber for the Barely-Offshell Nucleon Structure (BONuS 12) detector for use in the CLAS 12 detector in Experimental Hall B at Thomas Jefferson National Accelerator Facility (JLab). The optimization of these conditions will enhance the performance and resolution of the detector. The original BONuS 6 experiment utilized a gas composition of 80 % He and 20% Dimethyl Ether (DME). With the extensive 12 GeV energy upgrade constructed at JLab and the new BONuS 12 detector established , it is imperative that the gas composition utilized, is best suited to facilitate the experimental needs and demands. BONuS 12 is an experiment designed to measure the momentum of recoiling spectator protons down to 70 MeV/c. This technique will extract the structure function Fn 2 at large x from 0.1 up to 0.8 over a significant range in Q2 and W from the nucleon mass, with a beam energy of 11 GeV, enabling us to essentially select free neutrons.

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DI, NATALE Marilena Vita. "Impacts of weathered microplastics on bioavailability of pollutants in Paracentrotus lividus and Danio rerio: molecular and ecotoxicological approaches." Doctoral thesis, Università degli Studi di Palermo, 2022. https://hdl.handle.net/10447/560342.

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Plastic materials provide countless applications in every sector of human life, from food and health preservation to textiles and electronics industry (Cole et al., 2011;Thompson et al., 2009) which is resulting in huge amount of plastic waste. Recently, it was estimated that plastics account for the 80-90% of the whole marine litter (Derraik, 2002) and over 5 trillion microscopic plastic fragments are floating on the surface of the World Oceans (Eriksen et al., 2014). The predominant form of marine plastic litter is called “Microplastics (MPs)", terminology by Thompson et al. 2004, used to indicate small plastic fragments, fibers and granules of microscopic size (1 μm to 5 mm in diameter). Being small in size, they are likely to be ingested and accumulate by different classes of organisms (Wright et al., 2013), even can be consumed by algae and bacteria (Mattsson et al., 2015; Bouwmeester et al., 2015). Their presence, therefore, can represent a growing threat to ecosystems and to organisms for which it can represent a hazard (Galloway and Lewis, 2016). MPs are known to interact with a variety of chemicals in the environment through many sorption mechanisms (Yu et al., 2019). Owing to their ability to sorb xenobiotic chemicals, MPs are regarded as vectors of hazardous contaminants to aquatic organisms (Torres et al., 2021). The study of the interactions and the sorption mechanisms occurring between the sorbent (microplastic polymer) and sorbate (chemical contaminant) are important to improve our understanding of MP-mediated contaminant transfer as well as the impact of MPs on the marine environment, especially considering MPs from natural environment. MPs in natural environments undergo weathering processes due to physico-chemical interactions with environmental stress, including with biota. Over time, these stressors may lead to a progressive degradation of plastic polymers and affect their sorption capacity as well as their behavior in aquatic environments. In this context, it is key to know the bioavailable fraction able to determine a potential ecotoxicity in organisms, and to investigate the role of MPs in transferring bioavailable hazardous chemicals to aquatic biota. A multidisciplinary approach to evaluate the influence of the different factors altering plastic surface as well as to investigate the interactions behind the complex mixtures between toxicants and MPs should be considered. The aim of this chapter is to review the main MPs properties focusing particular reference on the sorption mechanisms of MPs, the factors that influence those mechanisms, the sorption behavior of a wide range of chemical contaminants and toxicity associated to combined exposures to MPs and pollutants. An overview of studies that allow relating toxicity to the sorption to MPs and help understand its importance for the bioavailability of chemical compounds is included. A pilot study carried out to evaluate the sorption, over time, of different metals and BDE-47 on a pristine model MP is described. Finally, the objectives of this thesis are presented.

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Livres sur le sujet "Molecular mixture"

1948-, Needham Paul, ed. Mixture and chemical combination: And related essays. Kluwer Academic Publishers, 2002.

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Molecular thermodynamics of complex systems. Springer, 2009.

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Ballard, Carol. Mixtures and solutions. Raintree, 2010.

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United States. National Aeronautics and Space Administration., ed. Kinetic model for the vibrational energy exchange in flowing molecular gas mixtures. National Aeronautics and Space Administration, 1987.

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Soleymani, Azita. Advanced topics in deformation and flow of dense gas-particle mixtures. Lappeenranta University of Technology, 2004.

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Needham, Paul, and Pierre Duhem. Mixture and Chemical Combination: And Related Essays. Springer, 2014.

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Needham, Paul, and Pierre Duhem. Mixture and Chemical Combination: And Related Essays. Springer London, Limited, 2013.

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Needham, Paul, and Pierre Duhem. Mixture and Chemical Combination: And Related Essays. Springer, 2011.

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Duhem, Pierre. Mixture and Chemical Combination: And Related Essays (Boston Studies in the Philosophy of Science). Springer, 2002.

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GAC adsorption of a mixture of natural organic matter and VOCs in the presence and absence of molecular oxygen. U.S. Environmental Protection Agency, 1991.

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Chapitres de livres sur le sujet "Molecular mixture"

Ennis, Daniel M. "Molecular Mixture Models: Connecting Molecular Events to Perception." In ACS Symposium Series. American Chemical Society, 2002. http://dx.doi.org/10.1021/bk-2002-0825.ch003.

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Chatterjee, Mainak, and Kunal Roy. "Computational Modeling of Mixture Toxicity." In Methods in Molecular Biology. Springer US, 2022. http://dx.doi.org/10.1007/978-1-0716-1960-5_22.

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Kiely, John S. "Techniques for mixture synthesis." In Annual Reports in Combinatorial Chemistry and Molecular Diversity. Springer Netherlands, 1997. http://dx.doi.org/10.1007/978-0-306-46904-6_2.

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Barros, Marisa C. F., Ana C. F. Ribeiro, and Cecília I. A. V. Santos. "Thermodiffusion on the Fontainebleau Benchmark Mixture: An Overview." In Optical and Molecular Physics. Apple Academic Press, 2021. http://dx.doi.org/10.1201/9781003150053-20.

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Apollonov, V. V. "SSVD Instability of Nonchain HF(DF) Laser Mixture." In High-Energy Molecular Lasers. Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-33359-5_27.

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McLachlan, G. J., L. K. Flack, S. K. Ng, and K. Wang. "Clustering of Gene Expression Data Via Normal Mixture Models." In Methods in Molecular Biology. Springer New York, 2013. http://dx.doi.org/10.1007/978-1-60327-337-4_7.

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Kvasnička, V. "Application of Adaptive Mixture of Local Neural Networks in Chemistry." In Molecular Similarity and Reactivity. Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-015-8488-3_9.

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Dhaliwal, Navneet, Jatinder Dhaliwal, Dhirendra Pratap Singh, Kanthi Kiran Kondepudi, Mahendra Bishnoi, and Kanwaljit Chopra. "The Probiotic Mixture VSL#3 Reverses Olanzapine-Induced Metabolic Dysfunction in Mice." In Methods in Molecular Biology. Springer New York, 2019. http://dx.doi.org/10.1007/978-1-4939-9554-7_31.

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Wan, Huiping, L. Chu, and T. F. Fwa. "Applications of Molecular Dynamics in Asphalt Pavement Mixture Studies." In Lecture Notes in Civil Engineering. Springer International Publishing, 2022. http://dx.doi.org/10.1007/978-3-030-87379-0_22.

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Zang, Shangbing, and Ren-Jang Lin. "Northwestern Blot Analysis: Detecting RNA–Protein Interaction After Gel Separation of Protein Mixture." In Methods in Molecular Biology. Springer New York, 2016. http://dx.doi.org/10.1007/978-1-4939-3591-8_10.

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Actes de conférences sur le sujet "Molecular mixture"

Kroll, Jay, Susanna Widicus Weaver, and Samuel Zinga. "SPECTRAL ANALYSIS OF A METHYLAMINE AND OZONE MIXTURE." In 74th International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2019. http://dx.doi.org/10.15278/isms.2019.ta04.

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Lee, Kelvin, Michael McCarthy, and Brandon Carroll. "BAYESIAN DEEP LEARNING MODELS FOR COMPLEX MIXTURE ANALYSIS." In 2020 International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2020. http://dx.doi.org/10.15278/isms.2020.wi02.

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Kabanemi, Kalonji K., Jean-Franc¸ois He´tu, and Samira H. Sammoun. "Experimental Study on Flow-Front Fingering Instabilities in Injection Molding of Polymer Solutions and Melts." In ASME 2004 International Mechanical Engineering Congress and Exposition. ASMEDC, 2004. http://dx.doi.org/10.1115/imece2004-59078.

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An experimental investigation of the flow behavior of dilute, semi-dilute and concentrated polymer solutions has been carried out to gain a better understanding of the underlying mechanisms leading to the occurrence of instabilities at the advancing flow front during the filling of a mold cavity. Experiments were performed using various mass concentrations of low and high molecular weight polyacrylamide polymers in corn syrup and water. This paper reports a new type of elastic fingering instabilities at the advancing flow front that has been observed only in semi-dilute polymer solutions of high molecular weight polymers. These flow front elastic instabilities seem to arise as a result of a mixture of widely separated high molecular weight polymer molecules and low molecular weight solvent molecules, which gives rise to a largely non-uniform polydisperse solution, with respect to all the kinds of molecules in the resulting mixture (solvent molecules and polymer molecules). The occurrence of these instabilities appears to be independent of the injection flow rate and the cavity thickness. Moreover, these instabilities do not manifest themselves in dilute or concentrated regimes, where respectively, polymer molecules and solvent molecules are minor perturbation of the resulting solution. In those regimes, smooth flow fronts are confirmed from our experiments. Based on these findings, the experimental investigations have been extended to polymer melts. Different mixtures of polycarbonate melts of widely separated molecular weights (low and high molecular weights) were first prepared. The effect of the large polydispersity of the resulting mixtures on the flow front behavior was subsequently studied. The same instabilities at the flow front were observed only in the experiments where a very small amount of high molecular weight polycarbonate polymer has been mixed to a low molecular weight polycarbonate melt (oligomers).

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Neill, Justin, Roger Reynolds, Matt Muckle, and Alex Mikhonin. "SAMPLING REQUIREMENTS FOR MIXTURE ANALYSIS USING MOLECULAR ROTATIONAL RESONANCE SPECTROSCOPY." In 74th International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2019. http://dx.doi.org/10.15278/isms.2019.tl01.

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Chakraborty, Krishnendu, Manoj M. Varma, and Murugesan Venkatapathi. "Measuring pair-wise molecular interactions in a complex mixture." In SPIE BiOS, edited by Wolfgang J. Parak, Marek Osinski, and Xing-Jie Liang. SPIE, 2016. http://dx.doi.org/10.1117/12.2211669.

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He, Tiancheng, Zhong Xue, Kongkuo Lu, Miguel Valdivia y Alvarado, and Stephen T. Wong. "IntegriSense molecular image sequence classification using Gaussian mixture model." In SPIE Medical Imaging. SPIE, 2012. http://dx.doi.org/10.1117/12.910832.

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Zamiri-Jafarian, Yeganeh, and Saeed Gazor. "Receiver design for diffusion-based molecular communication: Gaussian mixture modeling." In ICC 2016 - 2016 IEEE International Conference on Communications. IEEE, 2016. http://dx.doi.org/10.1109/icc.2016.7511444.

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Tokumasu, Takashi. "Dynamic Molecular Collision model for N[sub 2]–He mixture." In RAREFIED GAS DYNAMICS: 22nd International Symposium. AIP, 2001. http://dx.doi.org/10.1063/1.1407621.

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Golubev, Vladimir S., and S. V. Pashkin. "Electric discharge in fast-flowing molecular laser gas mixture (EDMG)." In Progress in Research and Development of High-Power Industrial CO2 Lasers, edited by Vladislav Y. Panchenko and Vladimir S. Golubev. SPIE, 2000. http://dx.doi.org/10.1117/12.394139.

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Shlyakhtina, A. V., and Young-Jei Oh. "Transparent Silica Aerogels through Ternary Azeotropic Mixture." In 2007 2nd IEEE International Conference on Nano/Micro Engineered and Molecular Systems. IEEE, 2007. http://dx.doi.org/10.1109/nems.2007.352037.

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Rapports d'organisations sur le sujet "Molecular mixture"

Meyer, Edmund. Modeling Molten Molecular Mixtures. Office of Scientific and Technical Information (OSTI), 2014. http://dx.doi.org/10.2172/1164009.

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Meyer, Edmund Richard. Analyzing Multi-component Molecular Mixtures. Office of Scientific and Technical Information (OSTI), 2015. http://dx.doi.org/10.2172/1179073.

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Debenedetti, P. G. Molecular interactions in dilute supercritical mixtures: Molecular dynamics investigation. Office of Scientific and Technical Information (OSTI), 1991. http://dx.doi.org/10.2172/5093976.

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Grossman, A., and K. Grant. A correlated K-distribution model of the heating rates for H[sub 2]O and a molecular mixture in the 0-2500 cm[sup [minus]1] wavelength region in the atmosphere between 0 and 60 km. Office of Scientific and Technical Information (OSTI), 1992. http://dx.doi.org/10.2172/7025988.

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Bruch, Richard C. Molecular Mechanisms of Olfactory Responses to Stimulus Mixtures. Defense Technical Information Center, 1991. http://dx.doi.org/10.21236/ada232144.

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Debenedetti, P. G. [Molecular interactions in dilute supercritical mixtures: Molecular dynamics investigation]. Final technical report, December 1, 1990--August 31, 1993. Office of Scientific and Technical Information (OSTI), 1993. http://dx.doi.org/10.2172/10129426.

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Patz, Carrie. Molecular level structure in water-alcohol mixtures; from shots to pints: L’Chaim! Office of Scientific and Technical Information (OSTI), 2017. http://dx.doi.org/10.2172/1417980.

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Simon, Alison G., Lauryn E. DeGreeff, Kimberly Peranich, Howard Holness, and Kenneth G. Furton. Canine Generalization to Molecularly Similar Odors and Odor Mixtures. Defense Technical Information Center, 2018. http://dx.doi.org/10.21236/ad1056109.

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Murad, S. Transport properties of dense fluid mixtures using nonequilibrium molecular dynamics. [Viscosity and thermal conductivity of continuous, or polydisperse mixtures]. Office of Scientific and Technical Information (OSTI), 1990. http://dx.doi.org/10.2172/6765028.

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Kress, Joel David, Christopher Ticknor, and Lee A. Collins. Mass transport properties of Pu/DT mixtures from orbital free molecular dynamics simulations. Office of Scientific and Technical Information (OSTI), 2015. http://dx.doi.org/10.2172/1215805.

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