Einloggen

Thematische Bibliographien / Ionic-Molecular systems

Auswahl der wissenschaftlichen Literatur zum Thema „Ionic-Molecular systems“

Autor: Grafiati

Veröffentlicht am 22. Juni 2024

Geben Sie eine Quelle nach APA, MLA, Chicago, Harvard und anderen Zitierweisen an

Wählen Sie eine Art der Quelle aus:

Machen Sie sich mit den Listen der aktuellen Artikel, Bücher, Dissertationen, Berichten und anderer wissenschaftlichen Quellen zum Thema "Ionic-Molecular systems" bekannt.

Neben jedem Werk im Literaturverzeichnis ist die Option "Zur Bibliographie hinzufügen" verfügbar. Nutzen Sie sie, wird Ihre bibliographische Angabe des gewählten Werkes nach der nötigen Zitierweise (APA, MLA, Harvard, Chicago, Vancouver usw.) automatisch gestaltet.

Sie können auch den vollen Text der wissenschaftlichen Publikation im PDF-Format herunterladen und eine Online-Annotation der Arbeit lesen, wenn die relevanten Parameter in den Metadaten verfügbar sind.

Inhaltsverzeichnis

Zeitschriftenartikel
Dissertationen
Bücher
Buchteile
Konferenzberichte
Berichte der Organisationen

Zeitschriftenartikel zum Thema "Ionic-Molecular systems":

1

Gizatullin, Bulat, Carlos Mattea und Siegfried Stapf. „Molecular Dynamics in Ionic Liquid/Radical Systems“. Journal of Physical Chemistry B 125, Nr. 18 (30.04.2021): 4850–62. http://dx.doi.org/10.1021/acs.jpcb.1c02118.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

2

Bacchus-Montabonel, Marie-Christine. „Charge Transfer in Ionic and Molecular Systems“. International Journal of Molecular Sciences 3, Nr. 3 (28.03.2002): 114. http://dx.doi.org/10.3390/i3030114.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

3

Angell, C. A., L. E. Busse, E. I. Cooper, R. K. Kadi Yala, A. Dworkin, M. Ghelfenstein, H. Szwarc und A. Vassal. „Glasses and glassy crystals from molecular and molecular ionic systems“. Journal de Chimie Physique 82 (1985): 267–74. http://dx.doi.org/10.1051/jcp/1985820267.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

4

Seitkalieva, Marina M., Vadim V. Kachala, Ksenia S. Egorova und Valentine P. Ananikov. „Molecular Extraction of Peptides in Ionic Liquid Systems“. ACS Sustainable Chemistry & Engineering 3, Nr. 2 (26.12.2014): 357–64. http://dx.doi.org/10.1021/sc500770v.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

5

Soutullo, Morgan D., Richard A. O’Brien, Kyle E. Gaines und James H. Davis. „Constitutional dynamic systems of ionic and molecular liquids“. Chemical Communications, Nr. 18 (2009): 2529. http://dx.doi.org/10.1039/b901899a.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

6

Chacón, Gustavo, Jérôme Durand, Isabelle Favier, Emmanuelle Teuma und Montserrat Gomez. „Ionic liquids in catalysis: molecular and nanometric metal systems“. French-Ukrainian Journal of Chemistry 4, Nr. 1 (2016): 23–36. http://dx.doi.org/10.17721/fujcv4i1p23-36.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

The catalyst immobilization in a liquid phase represents an attractive means to preserve high activities and selectivities, also permitting an easy recycling. To attain this goal, organic products should be extracted in a simple way from the catalytic phase leading to metal-free target compounds; for this reason, ionic liquids exhibiting high affinity for metallic species and low affinity for low polar compounds, turn into a promising medium, in particular for the synthesis of fine chemicals. In the present Accounts, we illustrate this approach through our research involving both molecular organometallic compounds and metallic nanoparticles dispersed in an ionic liquid phase.

7

Salanne, Mathieu, Dario Marrocchelli, Céline Merlet, Norikazu Ohtori und Paul A. Madden. „Thermal conductivity of ionic systems from equilibrium molecular dynamics“. Journal of Physics: Condensed Matter 23, Nr. 10 (18.02.2011): 102101. http://dx.doi.org/10.1088/0953-8984/23/10/102101.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

8

Wojnarowska, Zaneta, Krzysztof J. Paluch, Evgeni Shoifet, Christoph Schick, Lidia Tajber, Justyna Knapik, Patryk Wlodarczyk et al. „Molecular Origin of Enhanced Proton Conductivity in Anhydrous Ionic Systems“. Journal of the American Chemical Society 137, Nr. 3 (20.01.2015): 1157–64. http://dx.doi.org/10.1021/ja5103458.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

9

Nakano, Masayoshi, Kotaro Fukuda, Soichi Ito, Hiroshi Matsui, Takanori Nagami, Shota Takamuku, Yasutaka Kitagawa und Benoît Champagne. „Diradical and Ionic Characters of Open-Shell Singlet Molecular Systems“. Journal of Physical Chemistry A 121, Nr. 4 (20.01.2017): 861–73. http://dx.doi.org/10.1021/acs.jpca.6b11647.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

10

Kolafa, Jiří. „Pressure in Molecular Simulations with Scaled Charges. 1. Ionic Systems“. Journal of Physical Chemistry B 124, Nr. 34 (31.07.2020): 7379–90. http://dx.doi.org/10.1021/acs.jpcb.0c02641.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Mehr Quellen

Dissertationen zum Thema "Ionic-Molecular systems":

1

Tangney, Paul. „Improving molecular-dynamics simulations of simple ionic systems“. Doctoral thesis, SISSA, 2002. http://hdl.handle.net/20.500.11767/3940.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

2

Martinez, N. C. Forero. „Molecular models for protic ionic liquids and related systems“. Thesis, Queen's University Belfast, 2012. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.557414.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

Protic ionic liquids (PILs) are a vast class of compounds that are expected to play an increasing role as fuel cell electrolytes. A crucial aspect of these systems is represented by the reversible proton transfer reaction between a Bronsted acid and a Bronsted base giving rise to the ionic phase out of a molecular neutral state. Thermodynamic, structural and chemical properties of a prototypical PIL, ethylammonium nitrate (EAN), have been investigated by a combination of different computational approaches, ranging from ab initio to classical simulations based on a reactive Monte Carlo algorithm. Ab initio methods have been applied to map the potential energy surface and reaction energies of EAN-related molecules and small clusters. Crystal structures and vibrational properties of small clusters have also been investigated at the ab initio level. The ab initio data have been used to parametrise a reactive force field, able to reproduce the acid-base equilibrium of EAN, and which has subsequently been used to carry out a detailed investigation of the hydrogen bond network in liquid EAN, using the size of the hydrogen atom as a free parameter to explore a wide variety of conditions ranging from weak to strong hydrogen bonding. Equilibrium properties such as the crystal and liquid density are well reproduced by the model which provides only a rather crude description of fluidity and cohesive energy. In addition, Monte Carlo simulations have been carried out to investigate the properties of small EAN clusters in equilibrium with their vapour. The results show a complex pattern I of ionic and neutral molecular phases as a function of cluster size and thermodynamic conditions. As a side investigation, a simulation study of electrowetting and liquid-vapour nucleation for the restricted primitive model was carried out in order to clarify crucial aspects of Coulomb systems.

3

Reid, Joshua Elias Samuel James. „Molecular thermodynamics and solvation behaviour of protic ionic liquid systems“. Thesis, University of York, 2017. http://etheses.whiterose.ac.uk/18697/.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

Protic ionic liquids (PILs) are a class of solvents prepared from the mixing of equimolar quantities of a Brønsted acid and base resulting in both neutral and ionic species in equilibrium with one another. Their evolving application as solvents for innovative processes requires further understanding of their properties and how they originate at the molecular level. Three topics remain widely debated concerning PILs: 1) the effects of low concentrations of water as an impurity, 2) the structure–property relations in PILs and 3) the connection between PILs and their precursor components in terms of both molecular interactions and bulk properties. In this work, these three topics are studied using a variety of experimental techniques and fundamental theory for selected representative PIL systems. To clarify the effect of water at low concentrations, the statistical thermodynamic theory of solutions has been applied to quantify the interactions between species solely from thermodynamic data. Results showed both a strong composition dependence of the effect of water on the liquid structure in aprotic and protic ILs, but also that water did not significantly weaken ion–ion interactions at low concentrations. After clarifying the effects of water at low concentration on PIL behaviour, it has been shown that incorporating hydrogen bond donor functionality to the cation can increase the ionic nature of acetate PILs. This increase in ionic nature provides an excellent rationalization for the effect of cation structure on the thermodynamic and solvatochromic properties of three PILs. By studying the effect of varying composition of precursor acid and base, a deeper insight into the molecular origin of trends in bulk properties and solvation behaviour can be found. Furthermore, it has been shown that the solvation environment is highly composition dependent, offering insight into a new strategy in the application of PILs and their precursor materials as tuneable solvation media.

4

Guo, Zhenrong. „Characterization of ionic, dipolar and molecular mobility in polymer systems“. W&M ScholarWorks, 2005. https://scholarworks.wm.edu/etd/1539623474.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

Changes in the ionic and dipolar molecular mobility in a polymer system are the basis for the changes in the dielectric mechanical properties of polymer materials. Frequency Dependent Dielectric Measurements (FDEMS) and Ion Time-of-Flight (ITOF) are two important techniques to investigate ionic and dipolar molecular mobility in polymer systems. The results can be related to the macro- and molecular dielectric, electrical and dynamic properties of polymeric materials. The combination of these two methods provides a full view of electric, dielectric and dynamic behavior for the systems as they undergo chemical and/or physical changes during polymerization crystallization, vitrification, and/or phase separation.;The research on microscopic mass mobility in polymer systems was done on three aspects: (1) ion mobility in an epoxy-amine reaction system; (2) dipolar mobility and relaxation during dimethacrylate resin cure and (3) dye molecule migration and diffusion in polymer films.;In the ion mobility study, we separately monitor the changes in the ion mobility and the number of charge carriers during the epoxy-amine polymerization with FDEMS and ITOF measurements. The isolation of the number of carriers and their mobility allows significant improvement in monitoring changes in the state and structure of a material as it cures.;For the dipolar mobility and relaxation study, FDEMS measurements were used to detect structural evolution and spatial heterogeneity formation during the polymerization process of dimethacrylate resins. The dielectric spectra, glass transition (Tg) profiles and dynamic mechanical measurements were used to investigate the existence of two cooperative regions of sufficient size to create two alpha-relaxation processes representing oligomer rich and polymer microgel regions during the polymerization.;For the dye migration research, we tried to develop a visually color changing paper (VCP) due to dye molecule migration in polymer films. The mobility of dye molecules in polyvinyl films was controlled by the acidity of the environment. Ionamine derivatives of dyes were stable when mixed with acid. their diffusion in polymer films can be quickly triggered as the result of an acid/base neutralization reaction. The effect of the type of base, acid and the compatibility of polymer films on the diffusion rate is discussed.

5

McDonald, Anthony Michael. „Molecular dynamics simulation of ionic systems with large numbers of particles“. Thesis, Keele University, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.315233.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

6

Carvalho, Sara Ferreira. „Aqueous biphasic systems composed of ionic liquids and polysaccharides“. Master's thesis, Universidade de Aveiro, 2013. http://hdl.handle.net/10773/12600.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

Mestrado em Biotecnologia - Biotecnologia Molecular
Aiming at finding more biocompatible and environmentally-benign separation processes, aqueous biphasic systems composed of ionic liquids can be envisaged as an alternative and advantageous approach for the extraction and purification of the most diverse biomolecules. In this work, the main goal consisted on the study of the ability of polysaccharides, as a benign alternative over inorganic salts typically used, to form aqueous biphasic systems with ionic liquids. To this aim, the phase diagrams and respective compositions of the two phases in equilibrium for ternary systems consisting of several ionic liquids, water, and polysaccharides were determined at 298 K. By the combination of different families of ionic liquids, achieved by a representative variety of cations and anions, with dextrans and maltodextrins, it was possible to infer on the effect of the IL structural characteristics, as well as on the polysaccharides molecular weight through the formation ability of aqueous two-phase systems. Finally, and to ascertain on the potential application of these new systems such as extraction techniques, some of them were also used and evaluated regarding their aptitude to extract amino acids. The use of polysaccharides, namely dextran and maltodextrin, as salting-out molecules to form aqueous biphasic systems with ionic liquids was the main focus of this work. It was demonstrated here, for the first time, that a new class of aqueous biphasic systems composed of ionic liquids and polysaccharides can be formed while contributing to the development of more efficient and sustainable separation and purification techniques. These systems can be also seen as promising routes in the improvement of biotechnological processes which increasingly tend to be decisive in industry.
No âmbito da procura de processos de separação mais biocompatíveis e amigos do ambiente, os sistemas aquosos bifásicos com líquidos iónicos constituem uma abordagem alternativa e vantajosa para a extração e purificação das mais diversas biomoléculas. Neste trabalho pretendeu-se estudar especificamente a capacidade de polissacarídeos, como uma alternativa mais benigna face aos sais normalmente utilizados, para formar sistemas aquosos bifásicos com líquidos iónicos. Para tal, determinaram-se os diagramas de fase e composições das duas fases em equilíbrio para diversos sistemas ternários formados por líquidos iónicos, água e polissacarídeos a 298 K. O estudo destes novos sistemas, combinando diferentes famílias de líquidos iónicos representados por uma variedade alargada de catiões e aniões, com dextranas e maltodextrinas, permitiu avaliar o efeito das características estruturais dos líquidos iónicos, bem como da massa molecular dos polissacarídeos, na capacidade de formação de sistemas de duas fases aquosas. Por fim, e para suportar a sua aplicação como novas técnicas de extração, alguns destes sistemas foram também avaliados no que respeita à sua capacidade para extrair aminoácidos. A utilização de polissacarídeos, nomeadamente de dextrano e maltodextrina, enquanto moléculas indutoras de salting-out para formar sistemas aquosos bifásicos com líquidos iónicos, constituiu o foco principal deste trabalho. Pela primeira vez foi mostrado que existe uma nova classe de sistemas aquosos bifásicos constituídos por líquidos iónicos e polissacarídeos contribuindo assim para o desenvolvimento de técnicas de separação e purificação de uma forma mais eficiente, sustentável e ecológica. Estes sistemas poderão ainda ser vistos como vias promissoras no melhoramento de processos biotecnológicos que tendem a ser cada vez mais decisivos na indústria.

7

Zhang, Fei. „Adsorption of Small Molecules in Advanced Material Systems“. Diss., Virginia Tech, 2019. http://hdl.handle.net/10919/89917.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

Adsorption is a ubiquitous phenomenon that plays key roles in numerous applications including molecule separation, energy storage, catalysis, and lubrications. Since adsorption is sensitive to molecular details of adsorbate molecule and adsorbent materials, it is often difficult to describe theoretically. Molecular modeling capable of resolving physical processes at atomistic scales is an effective method for studying adsorption. In this dissertation, the adsorption of small molecules in three emerging materials systems: porous liquids, room-temperature ionic liquids, and atomically sharp electrodes immersed in aqueous electrolytes, are investigated to understand the physics of adsorption as well as to help design and optimize these materials systems. Thermodynamics and kinetics of gas storage in the recently synthesized porous liquids (crown-ether-substituted cage molecules dispersed in an organic solvent) were studied. Gas molecules were found to store differently in cage molecules with gas storage capacity per cage in the following order: CO2>CH4>N2. The cage molecules show selectivity of CO2 over CH4/N2 and demonstrate capability in gas separation. These studies suggest that porous liquids can be useful for CO2 capture from power plants and CH4 separation from shale gas. The effect of adsorbed water on the three-dimensional structure of ionic liquids [BMIM][Tf2N] near mica surfaces was investigated. It was shown that water, as a dielectric solvent and a molecular liquid, can alter layering and ordering of ions near mica surfaces. A three-way coupling between the self-organization of ions, the adsorption of interfacial water, and the electrification of the solid surfaces was suggested to govern the structure of ionic liquid near solid surfaces. The effects of electrode charge and surface curvature on adsorption of N2 molecules near electrodes immersed in water were studied. N2 molecules are enriched near neutral electrodes. Their enrichment is enhanced as the electrode becomes moderately charged but is reduced when the electrode becomes highly charged. Near highly charged electrodes, the amount of N2 molecules available for electrochemical reduction is an order of magnitude higher near spherical electrodes with radius ~1nm than near planar electrodes. The underlying molecular mechanisms are elucidated and their implications for development of electrodes for electrochemical reduction of N2 are discussed.
Doctor of Philosophy
Adsorption is a ubiquitous phenomenon that plays key roles in numerous applications including molecule separation, energy storage, catalysis, and lubrications. Since adsorption is sensitive to molecular details of adsorbate molecule and adsorbent materials, it is often difficult to describe theoretically. Molecular modeling capable of resolving physical processes at atomistic scales is an effective method for studying adsorption. In this dissertation, the adsorption of small molecules in three emerging materials systems: porous liquids, room-temperature ionic liquids, and atomically sharp electrodes immersed in aqueous electrolytes, are investigated to understand the physics of adsorption as well as to help design and optimize these materials systems. Thermodynamics and kinetics of gas storage in the recently synthesized porous liquids (crown-ether-substituted cage molecules dispersed in an organic solvent) were studied. Gas molecules were found to store differently in cage molecules with gas storage capacity per cage in the following order: CO2>CH4>N2. The cage molecules show selectivity of CO2 over CH4/N2 and demonstrate capability in gas separation. These studies suggest that porous liquids can be useful for CO2 capture from power plants and CH4 separation from shale gas. The effect of adsorbed water on the three-dimensional structure of ionic liquids [BMIM][Tf2N] near mica surfaces was investigated. It was shown that water, as a dielectric solvent and a molecular liquid, can alter layering and ordering of ions near mica surfaces. vi A three-way coupling between the self-organization of ions, the adsorption of interfacial water, and the electrification of the solid surfaces was suggested to govern the structure of ionic liquid near solid surfaces. The effects of electrode charge and surface curvature on adsorption of N2 molecules near electrodes immersed in water were studied. N2 molecules are enriched near neutral electrodes. Their enrichment is enhanced as the electrode becomes moderately charged but is reduced when the electrode becomes highly charged. Near highly charged electrodes, the amount of N2 molecules available for electrochemical reduction is an order of magnitude higher near spherical electrodes with radius ~1nm than near planar electrodes. The underlying molecular mechanisms are elucidated and their implications for development of electrodes for electrochemical reduction of N2 are discussed.

8

Dudariev, Dmytro. „Compétition entre la solvatation et l'agrégation ionique dans des systèmes ioniques-solvant : influence sur les propriétés de transport“. Electronic Thesis or Diss., Université de Lille (2022-....), 2023. http://www.theses.fr/2023ULILR009.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

L'objectif de cette thèse est d'analyser la structure microscopique des mélanges de liquide avec des solvants utilisés comme électrolytes dans les dispositifs électrochimiques afin de caractériser l'effet de l'agrégation des ions sur les propriétés de transport de ces systèmes. En utilisant la simulation de dynamique moléculaire, les systèmes suivants ont été étudiés: (i) les solutions de LiPF6 dans le mélange carbonate de diméthyle / carbonate d'éthylène (1:1), (ii) les solutions de SBPBF4 dans l'acétonitrile, et (iii) les mélanges de liquides ioniques (ILs) C4mimX à température ambiante (X= BF4-, PF6-, TFO-, TFSI-) avec des solvants aprotiques dipolaires tels que l'acétonitrile, la γ-butyrolactone et le carbonate de propylène.Pour tous les systèmes, l'analyse des agrégats a montré la formation d'un réseau ionique continu avec l'augmentation de la concentration de l'électrolyte. Ceci affecte significativement la diffusivité et la viscosité dans ces solutions.L'analyse des polyèdres de Voronoi des mélanges ILs-solvants a montré qu'en dessous de la fraction molaire IL d'environ 0.2, les ions sont bien solv atés par les molécules de solvant, mais au-dessus de cette fraction molaire, ils commencent à former des paires de contact, tandis que les molécules de solvant, expulsées du voisinage des ions, s'autoassocient
The objective of this thesis is to analyze the microscopic structure of the series ion-molecular systems that widely used for practical electrochemistry and to characterize the effect of the ion aggregation on the transport properties of these systems. By using molecular dynamics simulation, the following systems were investigated: (i) the solutions of LiPF6 in dimethyl carbonate / ethylene carbonate mixture (1:1), (ii) the solutions of SBPBF4 in acetonitrile, and (iii) the mixtures of room-temperature ionic liquids (ILs) C4mimX (X= BF4-, PF6-, TFO-, TFSI-) with dipolar aprotic solvents such as acetonitrile, γ-butyrolactone and propylene carbonate.For all the systems the aggregate analysis showed the formation of the ionic continuous network with the increase of electrolyte concentration. This affects significantly diffusivity and viscosity in these solutions.Voronoi polyhedra analysis of ILs-solvent mixtures showed that below the IL mole fraction of about 0.2, the ions are well solvated by the solvent molecules, but above this mole fraction they start to form contact pairs, while the solvent molecules, expelled from the vicinity of the ions, self-associates

9

Wilson, Mark. „Many-body effects in ionic systems“. Thesis, University of Oxford, 1994. http://ora.ox.ac.uk/objects/uuid:3c66daa2-5318-40d2-a445-15296d598a57.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

The electron density of an ion is strongly influenced by its environment in a condensed phase. When the environment changes, for example due to thermal motion, non-trivial changes in the electron density, and hence the interionic interactions occur. These interactions give rise to many-body effects in the potential. In order to represent this phenomenon in molecular dynamics (MD) simulations a method has been developed in which the environmentally-induced changes in the ionic properties are represented by extra dynamical variables. These extra variables are handled in an extended Lagrangian formalism by techniques analogous to those used in Car and Parrinello's ab initio MD method. At its simplest level (the polarizable-ion model or PIM) induced dipoles are represented. With the PIM it has proven possible to quantitatively account for numerous properties of divalent metal halides, which had previously been attributed to unspecific "covalent" effects. In the solid-state the prevalence of layered crystal structures is explained. Analogous non-coulombic features in liquid structures, in particular network formation in "strong" liquids like ZnCl₂ , have been studied as has network disruption by "modifiers" like RbCl. This work leads to an understanding of the relationship between the microscopic structure and anomalous peaks ("prepeaks") seen in diffraction data of such materials. The PIM was extended to include induced quadrupoles and their effect studied in simulations of AgCl. In the solid-state it is found that the both are crucial in improving the phonon dispersion curves with respect to experiment. In the liquidstate polarization effects lower the melting point markedly. For oxides the short-range energy has been further partitioned into overlap and rearrangement energies and electronic structure calculations are used to parameterize a model in which the radius of the anion is included as an additional degree of freedom. The Bl → B2 phase transition is studied in MgO and CaO and the differences between the new model and a rigid-ion model are analysed.

10

Tu, Kai-Ming. „Spatial-Decomposition Analysis of Electrical Conductivity in Concentrated Ionic Systems“. 京都大学 (Kyoto University), 2015. http://hdl.handle.net/2433/199125.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Mehr Quellen

Bücher zum Thema "Ionic-Molecular systems":

1

A, Lund, und Shiotani M. 1940-, Hrsg. Radical ionic systems: Properties in condensed phases. Dordrecht: Kluwer Academic Publishers, 1991.

Den vollen Inhalt der Quelle finden

APA, Harvard, Vancouver, ISO und andere Zitierweisen

2

Radical Ionic Systems: Properties in Condensed Phases (Topics in Molecular Organization and Engineering). Springer, 1990.

Den vollen Inhalt der Quelle finden

APA, Harvard, Vancouver, ISO und andere Zitierweisen

3

(Editor), Christopher S. Brazel, und Robin D. Rogers (Editor), Hrsg. Ionic Liquids in Polymer Systems: Solvents, Additives, and Novel Applications (Acs Symposium Series). An American Chemical Society Publication, 2005.

Den vollen Inhalt der Quelle finden

APA, Harvard, Vancouver, ISO und andere Zitierweisen

4

Lund, Anders, und Masaru Shiotani. Radical Ionic Systems: Properties in Condensed Phases. Springer, 2012.

Den vollen Inhalt der Quelle finden

APA, Harvard, Vancouver, ISO und andere Zitierweisen

5

Dubin, Dale. Ion Adventure in the Heartland: Exploring the Heart's Ionic-Molecular Microcosm. Cover Publishing Company, 2003.

Den vollen Inhalt der Quelle finden

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Buchteile zum Thema "Ionic-Molecular systems":

1

Kricka, L. J. „Molecular and ionic recognition by biological systems“. In Chemical Sensors, 3–14. Dordrecht: Springer Netherlands, 1988. http://dx.doi.org/10.1007/978-94-010-9154-1_1.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

2

Znamenski, V. S., I. N. Pavlenko und P. F. Zilberman. „The Molecular Dynamics Simulation of Contact Melting: Four-Component Ionic Systems“. In Computer Modelling of Electronic and Atomic Processes in Solids, 143–48. Dordrecht: Springer Netherlands, 1997. http://dx.doi.org/10.1007/978-94-011-5662-2_15.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

3

Vergadou, Niki, Eleni Androulaki und Ioannis G. Economou. „Molecular Simulation Methods for CO2Capture and Gas Separation with Emphasis on Ionic Liquids“. In Process Systems and Materials for CO2Capture, 79–111. Chichester, UK: John Wiley & Sons, Ltd, 2017. http://dx.doi.org/10.1002/9781119106418.ch3.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

4

Davydov, A. S. „Three-Dimensional Solitons (Polarons) In Ionic Crystals“. In Solitons in Molecular Systems, 341–57. Dordrecht: Springer Netherlands, 1991. http://dx.doi.org/10.1007/978-94-011-3340-1_14.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

5

Davydov, A. S. „Three-Dimensional Solitons (Polarons) in Ionic Crystals“. In Solitons in Molecular Systems, 242–59. Dordrecht: Springer Netherlands, 1985. http://dx.doi.org/10.1007/978-94-017-3025-9_13.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

6

Theveneau, Hélène. „Nuclear Magnetic Relaxation in Ionic Conductor Materials“. In Structure and Dynamics of Molecular Systems, 231–54. Dordrecht: Springer Netherlands, 1986. http://dx.doi.org/10.1007/978-94-009-4662-0_12.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

7

Barrantes, Francisco J. „Correlation of the Molecular Structure with Functional Properties of the Acetylcholine Receptor Protein“. In Ionic Channels in Cells and Model Systems, 385–400. Boston, MA: Springer US, 1986. http://dx.doi.org/10.1007/978-1-4684-5077-4_25.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

8

Pi, Z., S. Jacob und J. P. Kennedy. „Cationic Polymerizations at Elevated Temperatures by Novel Initiating Systems Having Weakly Coordinating Counteranions. 1. High Molecular Weight Polyisobutylenes“. In Ionic Polymerizations and Related Processes, 1–12. Dordrecht: Springer Netherlands, 1999. http://dx.doi.org/10.1007/978-94-011-4627-2_1.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

9

Ohkubo, T., T. Tahara, K. Takahashi und Y. Iwadate. „Ionic Conductivity and Molecular Structure of a Molten xZnBr2-(1−x)ABr (A = Li, Na, K) System“. In Molten Salts Chemistry and Technology, 149–57. Chichester, UK: John Wiley & Sons, Ltd, 2014. http://dx.doi.org/10.1002/9781118448847.ch3a.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

10

Garza, Jorge, Carl A. Fahlstrom, Rubicelia Vargas, Jeffrey A. Nichols und David A. Dixon. „ORBITALS FROM MOLECULAR ORBITAL AND DENSITY FUNCTIONAL THEORIES FOR IONIC SYSTEMS“. In Reviews of Modern Quantum Chemistry, 1508–36. WORLD SCIENTIFIC, 2002. http://dx.doi.org/10.1142/9789812775702_0050.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Konferenzberichte zum Thema "Ionic-Molecular systems":

1

Szwalek, Jamison L., Ryan C. Sun Chee Fore, Kihyun Kim und Ana I. Sirviente. „Mechanical Degradation Effects on Turbulent Flows With Macro-Molecular Polymer Structures“. In ASME 2004 Heat Transfer/Fluids Engineering Summer Conference. ASMEDC, 2004. http://dx.doi.org/10.1115/ht-fed2004-56432.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

Macro-molecular polymer structures due to either the entanglement of polymer molecules or the ionic character of the polymer, have been shown in the literature to enhance the drag reducing abilities of polymer solutions in internal water flows. The purpose of this study is to contrast the performance of an ionic and a non-ionic polymer as drag reduction agents with and without the presence of such macro molecular polymer structures. The endurance of such polymer structures to mechanical degradation is also assessed and documented herein. It will also be shown that special attention needs to be paid to the design of optimum polymer delivery systems since they can contribute to the formation or to further enhancing the drag reducing abilities of homogeneous polymer solutions.

2

Kohanoff, Jorge, Emilio Artacho, Károly Tokési und Béla Sulik. „First-principles molecular dynamics simulations of the interaction of ionic projectiles with liquid water and ice“. In RADIATION DAMAGE IN BIOMOLECULAR SYSTEMS: Proceedings of the 5th International Conference (RADAM 2008). AIP, 2008. http://dx.doi.org/10.1063/1.3058991.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

3

Piccoli, Vinicius, und Leandro Martínez. „Solvation of different folding states of ubiquitin by EMIMDCA: a study using minimum distance distribution functions“. In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol202043.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

Ionic liquids are versatile solvents that have been used in various applications: as green solvents, catalysts, and in biotechnological systems. The optimization of ionic liquids use can be achieved by an understanding of its behavior in chemical systems. Here, the interaction between EMIMDCA and four different folding states of the ubiquitin is studied by the computation of minimum-distance distribution functions from molecular dynamics. In all systems presented here, EMIMDCA solvates the protein preferentially for all types of structures simulated, indicating a denaturation behavior in the presence of ubiquitin. The affinity of EMIMDCA to the protein conformations, with more residues exposed to the solvent, is related to the interactions of the ions with, manly, the apolar residues. Hence, we will show that as the protein structure becomes more open, the interactions between the ions and the protein start to have more influence from the dispersive interaction than the hydrogen bonds.

4

Bello, Ayomikun, Alexander Rodionov, Anastasia Ivanova und Alexey Cheremisin. „Experimental Investigation and Molecular Dynamics of the Fluid-Fluid Interactions Between Binary Surfactant Systems for EOR“. In GOTECH. SPE, 2024. http://dx.doi.org/10.2118/219237-ms.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

Abstract This work aims to explore the properties and interactions between binary surfactant systems. We employed a methodology comprising experimental analysis, mathematical modeling, and molecular dynamics simulations. In the experimental study, we examined eight individual surfactants and six binary surfactant systems at various ratios to determine their critical micelle concentrations (CMCs), using reservoir oil and performing experiments at reservoir conditions. Then, Rubingh's Regular Solution Theory (RST) was applied to evaluate interactions within the binary surfactant mixtures. Finally, using molecular dynamics simulations, we characterized the microscopic interactions to comprehend how hydrophilic and hydrophobic parts of the surfactants interact with surrounding media, and how they self-assemble into aggregates such as micelles or bilayers. The key findings of our work showed that the occurrence of synergism or antagonism in lowering the CMC of binary surfactant mixtures depend on both the concentration of the individual surfactant and the type of surfactant used. Nevertheless, we noted a prevalent synergistic phenomenon in all binary surfactant systems, notably influenced by the concentration of the non-ionic surfactant. Increased concentrations of non-ionic surfactants notably enhanced synergistic interactions, fostering lowered CMC values when combined with anionic, cationic, and zwitterionic surfactants. On the other hand, an excessive concentration of cationic surfactants demonstrated relatively ‘weak’ synergistic effects, attributed to their comparatively smaller hydrophobic tail. Moreover, the formation of mixed micelles in binary surfactant systems led to a more negative free energy of micellization, thereby achieving synergistic effects between surfactants and resulting in lower CMC values. This emphasizes the crucial role of surfactant concentration in achieving synergistic outcomes within mixed systems. Generally, binary surfactant systems demonstrated lower CMC values compared to single surfactants, suggesting the potential for their use at lower concentrations to achieve desired interfacial and recovery outcomes, thereby reducing operational costs.

5

Sierra, Alfonso, Hope Scott, Darwin Pray, Zachary Polus und Patricia Iglesias. „Effects of Surface Finish and Molecular Structure on the Lubricating Ability of Borate-Based Protic Ionic Liquids“. In ASME 2022 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2022. http://dx.doi.org/10.1115/imece2022-95163.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

Abstract Friction and wear are inherent problems in mechanical systems, leading to about 23% world’s total energy usage. However, energy losses could be reduced by up to 40% using high-performance lubricants. In order to meet these objectives, Ionic liquids have been studied for more than two decades. Ionic liquids are a class of synthetic salts with melting points below 100 °C due to their asymmetric chemical structure. This feature confers them remarkably interesting physicochemical properties. Moreover, the delocalized charge in their functional groups enables them to react with metal surfaces through the formation of protective layers that prevent them against contact. Ionic liquids are generally categorized based on the nature of their cation into aprotic ionic liquids and protic ionic liquids. Even though aprotic ionic liquids have been proved as neat lubricants and additives with great performance, their applicability is limited as a consequence of the complexity of their synthesis. On the contrary, protic ionic liquids can be easily obtained through proton transfer from a Brønsted acid to a Brønsted base. In this study, two borate-based PILs, N-methylethanolamine 1,2-dodecanediolborate and N’N-dimethylethanolamine 1,2-dodecanediolborate, were synthesized, with same anion and different ammonium cation. Their lubricating abilities were investigated as neat lubricants on steel-steel contact at room temperature, using a custom-designed ball-on-flat reciprocating tribometer. Each protic ionic liquid was tested using ground and polished steel disks and two levels of normal force and frequency. Results showed that the surface finish have an important influence on the lubricating performance of these ordered fluids. In addition, frequency was found to have an influence on the wear mechanisms on steel surfaces.

6

Doi, Kentaro, und Satoyuki Kawano. „Theoretical Development of Predicted Iteration Method for Considering Electron Dynamics in Quantum Molecular Dynamics“. In ASME-JSME-KSME 2011 Joint Fluids Engineering Conference. ASMEDC, 2011. http://dx.doi.org/10.1115/ajk2011-36033.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

In the present study, a theoretical principle of molecular dynamics methods is developed, in which electron transfers are taken into account effectively based on quantum mechanics. In chemical reaction systems, electrodynamics should be considered in the molecular dynamics simulation because electron transfers play an important role. In this study, an effective procedure is proposed to treat time evolutions of electronic wavefunctions. In the procedure, electronic wavefunctions can be transformed to other spaces such as Mulliken atomic charges or electrostatic potentials, and then their time evolutions are coupled with the motions of ionic cores. The present method is applied to some chemical reaction systems, and charge transfer effects can be treated successfully in molecular dynamics simulations. The importance of a coupling method of molecular dynamics and electrodynamics is described.

7

Zhang, Ning, Cong Chen, Yujing Feng, Qingnan Pang und Weizhong Li. „Molecular Dynamics Simulation of the Hydrogen Bonding Structure of Water Molecules Inside Carbon Nanotube“. In ASME 2013 11th International Conference on Nanochannels, Microchannels, and Minichannels. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/icnmm2013-73032.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

The structure of water molecules inside (6, 6) carbon nanotube under two different conditions are studied using molecular dynamics simulation. The structural and thermodynamic properties of the single-file water chain along the nanotube help to determine the hydrogen bonds between water molecules inside the channel. The properties of the systems show that induced pressure and ionic environment have similar effects on the structure of the inner water molecules. However, the Na+ and Cl− ions lead the number of hydrogen bonds inside the nanotube to fluctuate a little more greatly than that under the induced pressure.

8

Chen, Z., J. M. MacInnes, B. O’Sullivan und P. Zhou. „Design and Performance of a Folding Flow Network Micromixer“. In ASME 2008 International Mechanical Engineering Congress and Exposition. ASMEDC, 2008. http://dx.doi.org/10.1115/imece2008-68914.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

Effective and rapid mixing of liquid solutions is a fundamental requirement in the design of many types of micro-flow systems. Constraints of both rapid and complete mixing place considerable demands on mixer performance. Especially for those liquids with high viscosities and low diffusivities, mixing is particularly important, however, difficult, for processes associated with chemical reaction. A design of a mixer using a network of microchannels to split and recombine the flow repeatedly is introduced in the paper. Such a mixer has been incorporated by the authors into a device for carrying out measurements of chemical reaction kinetics in ionic liquid solutions. Rapid mixing of reagent solutions is required to produce a uniform reaction mixture in a time that is short compared to the kinetic time scales of interest. Since the ionic liquids have low molecular diffusivities and high viscosities, and for practical conditions, flow is necessarily in the Stokes regime (Re<1), this liquid system provides an extremely challenge for mixer design. The performance of the mixer is then investigated by experiments.

9

Freeman, Eric C., Michael K. Philen und Donald J. Leo. „Combined Modeling of Bilayer Networks for Sensing Applications“. In ASME 2012 Conference on Smart Materials, Adaptive Structures and Intelligent Systems. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/smasis2012-8115.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

The bilayer lipid membrane (BLM) is a naturally occurring thin layer of phospholipid molecules that surrounds cellular systems. The membrane operates as a near-impermeable barrier allowing for the generation of membrane potentials across the layer through changes in ionic concentrations. This membrane is required for regular cell function ranging from storing energy to passing signals. Engineering advancements have allowed for the rapid creation of artificial bilayer membranes, and these membranes are currently considered for many biomimetic applications. The application of interest for this paper is the further development of these cellular systems for sensing applications. This will be accomplished through a combined fluid-bilayer model, allowing for study of the bilayer transduction properties at both high and low frequencies. Several approaches are discussed and applied to multiple cell systems with or without embedded voltage-dependent ion pores. Finally the results are studied and evidence is presented for the development of a new molecular model for cellular systems combining chemical, electrical, and mechanical stimuli.

10

Alghunaim, Etaf, Ozan Uzun, Hossein Kazemi und J. Frederick Sarg. „Cost-Effective Chemical EOR for Heterogenous Carbonate Reservoirs Using a Ketone-Surfactant System“. In SPE Annual Technical Conference and Exhibition. SPE, 2021. http://dx.doi.org/10.2118/205910-ms.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

Abstract The complexity, high cost, and potential environmental concerns of chemical enhanced oil recovery (EOR) methods have diminished their field applications considerably. However, considering the significant incremental oil recoveries that can be obtained from these methods encourage researchers to explore ways to reduce both complexity, cost, and environmental concerns of such systems. This is especially important in carbonate formations, where after waterflooding, much of the oil remains trapped in complex reservoir pores—especially if the reservoir contains an interconnected fracture network of flow channels within the bulk rock matrix. In this paper, we present an experimental assessment of several simple chemical EOR waterflooding systems comprising of small concentrations of a low cost, low molecular weight ketone and a non-ionic surfactant in association with low-salinity brine. The experiments were conducted in carbonate cores from a Permian Basin San Andres Formation. Four different oil displacement scenarios were investigated using San Andres carbonate cores from the Central Vacuum Field in New Mexico. This included 1) low-salinity brine, 2) low-salinity brine with a surfactant, 3) low-salinity brine with a ketone, and 4) low-salinity brine with a combined ketone-surfactant system. Static imbibition experiments were conducted using a spontaneous imbibition apparatus in addition to the use of a high-speed centrifuge to saturate the cores to irreducible brine saturation. Adding a 1% concentration of 3-pentanone and a 1% non-ionic surfactant to a low-salinity brine yielded oil recoveries of 44% from the 3-pentanone system, compared to 11.4% from low-salinity brine only. The oil recovery is enhanced by a single mechanism or synergy of several mechanisms that includes interfacial tension (IFT) reduction by surfactant, capillary imbibition, favorable wettability alteration by ketone, and osmotic low-salinity brine imbibition. The IFT decreased to 1.79 mN/m upon addition of non-ionic surfactant to low-salinity brine, and it reduced to 2.96 mN/m in a mixture of 3-pentanone and non-ionic surfactant in low-salinity brine. Furthermore, ketone improved the core wettability by reducing the contact angle to 43.9° from 50.7° in the low-salinity brine experiment. In addition, the low-salinity brine systems caused mineral dissolution, which created an alkali environment confirmed by an increase in the brine pH. We believe the increase in pH increased the hydrophilic character of the pores; thus, increasing oil recovery.

Berichte der Organisationen zum Thema "Ionic-Molecular systems":

1

Chefetz, Benny, Baoshan Xing, Leor Eshed-Williams, Tamara Polubesova und Jason Unrine. DOM affected behavior of manufactured nanoparticles in soil-plant system. United States Department of Agriculture, Januar 2016. http://dx.doi.org/10.32747/2016.7604286.bard.

Der volle Inhalt der Quelle

APA, Harvard, Vancouver, ISO und andere Zitierweisen

Annotation:

The overall goal of this project was to elucidate the role of dissolved organic matter (DOM) in soil retention, bioavailability and plant uptake of silver and cerium oxide NPs. The environmental risks of manufactured nanoparticles (NPs) are attracting increasing attention from both industrial and scientific communities. These NPs have shown to be taken-up, translocated and bio- accumulated in plant edible parts. However, very little is known about the behavior of NPs in soil-plant system as affected by dissolved organic matter (DOM). Thus DOM effect on NPs behavior is critical to assessing the environmental fate and risks related to NP exposure. Carbon-based nanomaterials embedded with metal NPs demonstrate a great potential to serve as catalyst and disinfectors. Hence, synthesis of novel carbon-based nanocomposites and testing them in the environmentally relevant conditions (particularly in the DOM presence) is important for their implementation in water purification. Sorption of DOM on Ag-Ag₂S NPs, CeO₂ NPs and synthesized Ag-Fe₃O₄-carbon nanotubebifunctional composite has been studied. High DOM concentration (50mg/L) decreased the adsorptive and catalytic efficiencies of all synthesized NPs. Recyclable Ag-Fe₃O₄-carbon nanotube composite exhibited excellent catalytic and anti-bacterial action, providing complete reduction of common pollutants and inactivating gram-negative and gram-positive bacteria at environmentally relevant DOM concentrations (5-10 mg/L). Our composite material may be suitable for water purification ranging from natural to the industrial waste effluents. We also examined the role of maize (Zeamays L.)-derived root exudates (a form of DOM) and their components on the aggregation and dissolution of CuONPs in the rhizosphere. Root exudates (RE) significantly inhibited the aggregation of CuONPs regardless of ionic strength and electrolyte type. With RE, the critical coagulation concentration of CuONPs in NaCl shifted from 30 to 125 mM and the value in CaCl₂ shifted from 4 to 20 mM. This inhibition was correlated with molecular weight (MW) of RE fractions. Higher MW fraction (> 10 kDa) reduced the aggregation most. RE also significantly promoted the dissolution of CuONPs and lower MW fraction (< 3 kDa) RE mainly contributed to this process. Also, Cu accumulation in plant root tissues was significantly enhanced by RE. This study provides useful insights into the interactions between RE and CuONPs, which is of significance for the safe use of CuONPs-based antimicrobial products in agricultural production. Wheat root exudates (RE) had high reducing ability to convert Ag+ to nAg under light exposure. Photo-induced reduction of Ag+ to nAg in pristine RE was mainly attributed to the 0-3 kDa fraction. Quantification of the silver species change over time suggested that Cl⁻ played an important role in photoconversion of Ag+ to nAg through the formation and redox cycling of photoreactiveAgCl. Potential electron donors for the photoreduction of Ag+ were identified to be reducing sugars and organic acids of low MW. Meanwhile, the stabilization of the formed particles was controlled by both low (0-3 kDa) and high (>3 kDa) MW molecules. This work provides new information for the formation mechanism of metal nanoparticles mediated by RE, which may further our understanding of the biogeochemical cycling and toxicity of heavy metal ions in agricultural and environmental systems. Copper sulfide nanoparticles (CuSNPs) at 1:1 and 1:4 ratios of Cu and S were synthesized, and their respective antifungal efficacy was evaluated against the pathogenic activity of Gibberellafujikuroi(Bakanae disease) in rice (Oryza sativa). In a 2-d in vitro study, CuS decreased G. fujikuroiColony- Forming Units (CFU) compared to controls. In a greenhouse study, treating with CuSNPs at 50 mg/L at the seed stage significantly decreased disease incidence on rice while the commercial Cu-based pesticide Kocide 3000 had no impact on disease. Foliar-applied CuONPs and CuS (1:1) NPs decreased disease incidence by 30.0 and 32.5%, respectively, which outperformed CuS (1:4) NPs (15%) and Kocide 3000 (12.5%). CuS (1:4) NPs also modulated the shoot salicylic acid (SA) and Jasmonic acid (JA) production to enhance the plant defense mechanisms against G. fujikuroiinfection. These results are useful for improving the delivery efficiency of agrichemicals via nano-enabled strategies while minimizing their environmental impact, and advance our understanding of the defense mechanisms triggered by the NPs presence in plants.