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Novel Physics Condensed Matter
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Novel Physics Condensed Matter

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Materials Physics".

Deadline for manuscript submissions: closed (30 November 2020) | Viewed by 17259

Special Issue Editors

Prof. Dr. Mikhail G. Kiselev

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Guest Editor
Institute of Solution Chemistry of the Russian Academy of Sciences, Laboratory of NMR Spectroscopy and Numerical Investigations of Liquids, Ivanovo, Russia
Interests: supercritical fluids; IR spectroscopy; NMR spectroscopy; aerogels; solubility; extraction; quantum dots; carbon dots
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Yury Budkov

E-Mail Website
Guest Editor
School of Applied Mathematics, Tikhonov Institute of Electronics and Mathematics, National Research University Higher School of Economics, 123458 Moscow, Russia
Interests: Ionic fluids; polymer solutions; surface phenomena; material science; statistical physics; self-consistent field theory; classical density functional theory; field-theoretical approaches
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Today, condensed matter physics is an area with a high impact on the material sciences and material technologies. A field with strong future perspectives is the application of the fundamental principles of condensed matter physics to the development of “smart” materials, i.e. materials the properties of which can be changed and controlled by various external stimuli (temperature, pressure, solvent composition, pH, external electric and magnetic fields, etc.), nanotechnologies, supramolecular and self-organizing processes, molecular electronics, and molecular sensing. The progress in solvation and complex formation research is the basis for a better understanding of the complex problems of condensed matter physics at the nanoscale level. On the other hand, studying the new developments in nanotechnology opens new horizons in the physical chemistry of solvation and complex formation. Despite the evident success of modern materials science, the structure of molecular fluids and polymers confined in nanopores, and the effect of external stimuli and state parameters on the structure, the dynamics and conformational properties of molecules have not yet been studied well.

Thus, this Special Issue will contribute to solving problems of solvation and complex formation that occur as a result of the action of external stimuli, such as nanopores and any other confinement, electromagnetic fields, high and low parameters of state, and co-solvent concentration. In this respect, we encourage contributions demonstrating how using the basic concepts of condensed matter physics may direct materials design and stimulate ideas for new or improved processing techniques, in order to obtain materials with the desired physical–chemical properties.

Prof. Dr. Mikhail G. Kiselev
Prof. Dr. Yury Budkov
Guest Editors

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Materials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Structure and dynamics of molecular and ion-molecular systems in solutions and on the interface
  • Solutions in nanopores and other confinement
  • Solution under extreme conditions
  • Complex formation and self-assembly as a base for design of functional materials
  • Cooperative dynamics in solutions and self-organizing problems
  • Stimuli responsive polymers and polymer brushes
  • Electroactive materials
  • Macrocyclic functional materials
  • Molecular sensing.

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Published Papers (4 papers)

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Research

13 pages, 3890 KiB  
Article
Deformation of Emulsion Droplet with Clean and Particle-Covered Interface under an Electric Field
by Muhammad Salman Abbasi, Haroon Farooq, Hassan Ali, Ali Hussain Kazim, Rabia Nazir, Aqsa Shabbir, Seongsu Cho, Ryungeun Song and Jinkee Lee
Materials 2020, 13(13), 2984; https://doi.org/10.3390/ma13132984 - 4 Jul 2020
Cited by 10 | Viewed by 4063
Abstract
The electrohydrodynamic deformation of an emulsion droplet with a clean and particle-covered interface was explored. Here, the electrohydrodynamic deformation was numerically and experimentally demonstrated under the stimuli of moderate and strong electric fields. The numerical method involves the coupling of the Navier–Stokes equation [...] Read more.
The electrohydrodynamic deformation of an emulsion droplet with a clean and particle-covered interface was explored. Here, the electrohydrodynamic deformation was numerically and experimentally demonstrated under the stimuli of moderate and strong electric fields. The numerical method involves the coupling of the Navier–Stokes equation with the level set equation of interface tracking and the governing equations of so-called leaky dielectric theory. The simulation model developed for a clean interface droplet was then extended to a capsule model for densely particle-covered droplets. The experiments were conducted using various combinations of immiscible oils and particle suspensions while the electric field strength ~105 V/m was generated using a high voltage supply. The experimental images obtained by the camera were post-processed using an in-house image processing code developed on the plat-form of MATLAB software. The results show that particle-free droplets can undergo prolate (deformation in the applied electric field direction) or oblate deformation (deformation that is perpendicular to the direction of the applied electric field) of the droplet interface, whereas the low-conductivity particles can be manipulated at the emulsion interface to form a ‘belt’, ‘helmet’ or ‘cup’ morphologies. A densely particle-covered droplet may not restore to its initial spherical shape due to ‘particle jamming’ at the interface, resulting in the formation of unique droplet shapes. Densely particle-covered droplets behave like droplets covered with a thin particle sheet, a capsule. The deformation of such droplets is explored using a simulation model under a range of electric capillary numbers (i.e., the ratio of the electric stresses to the capillary stresses acting at the droplet interface). The results obtained are then compared with the theory and experimental findings. It was shown that the proposed simulation model can serve as a tool to predict the deformation/distortion of both the particle-free and the densely particle-covered droplets within the small deformation limit. We believe that this study could provide new findings for the fabrication of complex-shaped species and colloidosomes. Full article
(This article belongs to the Special Issue Novel Physics Condensed Matter)
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Graphical abstract

18 pages, 4877 KiB  
Article
Molecular Dynamics Study of the Swelling of Poly(methyl methacrylate) in Supercritical Carbon Dioxide
by Darya Gurina, Yury Budkov and Mikhail Kiselev
Materials 2019, 12(20), 3315; https://doi.org/10.3390/ma12203315 - 11 Oct 2019
Cited by 16 | Viewed by 3992
Abstract
The swelling of a poly (methyl methacrylate) in supercritical carbon dioxide was studied by means of full atomistic classical molecular dynamics simulation. In order to characterize the polymer swelling, we calculated various properties related to the density, structure, and dynamics of polymer chains [...] Read more.
The swelling of a poly (methyl methacrylate) in supercritical carbon dioxide was studied by means of full atomistic classical molecular dynamics simulation. In order to characterize the polymer swelling, we calculated various properties related to the density, structure, and dynamics of polymer chains as a function of the simulation time, temperature, and pressure. In addition, we compared the properties of the macromolecular chains in supercritical CO2 with the properties of the corresponding bulk system at the same temperature and atmospheric pressure. It was shown that diffusion of CO2 molecules into the polymer led to a significant increase in the chain mobility and distances between them. Analysis of diffusion coefficients of CO2 molecules inside and outside the poly(methyl methacrylate) sample has shown that carbon dioxide actively interacts with the functional groups of poly (methyl methacrylate). Joint analysis of the radial distribution functions obtained from classical molecular dynamics and of the averaging interatomic distances from Car-Parrinello molecular dynamics allows us to make a conclusion about the possibility of formation of weak hydrogen bonds between the carbon dioxide oxygen atom and the hydrogen atoms of the polymer methyl groups. Full article
(This article belongs to the Special Issue Novel Physics Condensed Matter)
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18 pages, 3477 KiB  
Article
Structural and Thermal Properties of Montmorillonite/Ionic Liquid Composites
by Olga Alekseeva, Andrew Noskov, Elena Grishina, Lyudmila Ramenskaya, Nadezhda Kudryakova, Vladimir Ivanov and Alexander Agafonov
Materials 2019, 12(16), 2578; https://doi.org/10.3390/ma12162578 - 13 Aug 2019
Cited by 39 | Viewed by 4230
Abstract
Composites of montmorillonite K10 (MMT K10) and ionic liquid (IL) containing a 1-butyl-3-methyl-imidazolium cation ([BMIm]+) and various anions, such as bis (trifluoromethylsulfonyl) imide ([NTf2]−), trifluoromethanesulfonate ([OTf]−), and dicyanamide ([DCA]−) have been obtained in [...] Read more.
Composites of montmorillonite K10 (MMT K10) and ionic liquid (IL) containing a 1-butyl-3-methyl-imidazolium cation ([BMIm]+) and various anions, such as bis (trifluoromethylsulfonyl) imide ([NTf2]−), trifluoromethanesulfonate ([OTf]−), and dicyanamide ([DCA]−) have been obtained in this work. A number of methods, such as dynamic light scattering (DLS), scanning electron microscopy (SEM), X-ray diffraction (XRD), thermal gravimetry (TG), differential scanning calorimetry (DSC), Fourier-transform infrared (FTIR) spectroscopy, and nitrogen adsorption–desorption have been used to characterize clay, and to study the structure and thermal behaviour of the composites. It has been found that the MMT K10 powder has a narrow particle size distribution with a peak at 246 nm and a mesoporous structure (SBET=195 m2/g). According to the FTIR spectra, MMT K10/IL interaction depends on the IL type. It has been identified that confined ionic liquid interacts with both clay and adsorbed water in accordance with the hydrophilicity and size of the anion, in the following order: [DCA]− > [OTf]− > [NTf2]−. Characteristic temperatures of glass transition, crystallization, and melting have been determined for the ionic liquids under study and their MMT K10 composites. It has been revealed that when IL is adsorbed on the surface of clay, the phase transitions in IL change. The greatest changes are observed in the case of BMImNTf2. By applying the method of thermogravimetric analysis, it is shown that composite formation is accompanied by a decrease in the IL thermal stability. Apparently, the highly developed surface of montmorillonite K10, obtained by acid treatment, plays a major role in the decrease in the IL’s thermal stability. The influence of the IL anion on the thermal and spectral characteristics of an MMT K10/IL composite was studied for the first time. Full article
(This article belongs to the Special Issue Novel Physics Condensed Matter)
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11 pages, 26832 KiB  
Article
Water Effects on Molecular Adsorption of Poly(N-vinyl-2-pyrrolidone) on Cellulose Nanocrystals Surfaces: Molecular Dynamics Simulations
by Darya Gurina, Oleg Surov, Marina Voronova, Anatoly Zakharov and Mikhail Kiselev
Materials 2019, 12(13), 2155; https://doi.org/10.3390/ma12132155 - 4 Jul 2019
Cited by 14 | Viewed by 4104
Abstract
Models of interaction between a poly(N-vinyl-2-pyrrolidone) macromolecule and a fragment of Iβ-cellulose were built in a vacuum and water environment. The models were made to interpret the mechanism of interaction of the polymer and cellulose nanocrystals by the classical molecular dynamics [...] Read more.
Models of interaction between a poly(N-vinyl-2-pyrrolidone) macromolecule and a fragment of Iβ-cellulose were built in a vacuum and water environment. The models were made to interpret the mechanism of interaction of the polymer and cellulose nanocrystals by the classical molecular dynamics method. The structural behavior of a poly(N-vinyl-2-pyrrolidone) macromolecule in water has been studied in terms of the radius of gyration, atom–atom radial distribution functions and number of hydrogen bonds. It was found that the polymer has a high affinity with the solvent and each monomer unit has on average 0.5 hydrogen bonds. The structural and energy characteristics of the polymer adsorption were investigated at different initial positions of the poly(N-vinyl-2-pyrrolidone) macromolecule relative to the cellulose fragment. It was observed that the polymer macromolecule was mainly adsorbed on the cellulose fragment in the globular form. Moreover, in the solvent the interaction of poly(N-vinyl-2-pyrrolidone) with the cellulose hydrophobic surface was stronger than that with the hydrophilic one. This study will show that the presence of water makes the interaction between the polymer and cellulose weaker than in a vacuum, and the polymer and cellulose mainly interact through their solvation shells. Full article
(This article belongs to the Special Issue Novel Physics Condensed Matter)
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