Article
Chemistry, Physical
Mingqian Li, Dan Wang, Lifeng Wang
Summary: This study proposes a curvature-based theoretical model to investigate the adsorption behavior of nonpolar atoms distributed in carbon nanotubes. The results obtained from the model predictions are consistent with the data from molecular dynamics simulations, confirming the significant influence of nanotube diameter on helium atom adsorption.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Physics, Fluids & Plasmas
M. A. Osipov, A. A. Antonov, M. Gorkunov
Summary: A molecular-statistical theory of the orientational elasticity of nematic liquid crystals has been developed, with explicit expressions for the elasticity tensor and Frank elastic constants obtained. The study shows that the elastic constants are more sensitive to the details of the intermolecular interaction potential, and a relatively weak polarity of the molecular shape may lead to unusual behavior in the splay constant, potentially causing instability in the homogeneous nematic phase.
Article
Chemistry, Physical
Marcus U. Witt, Joachim Landers, Stephan Hinrichs, Soma Salamon, Juri Kopp, Birgit Hankiewicz, Heiko Wende, Regine von Klitzing
Summary: This paper investigates the coupling of magnetic nanoparticles with temperature-sensitive microgels and their response to magnetic fields. The study finds that the shrinkage of microgels significantly changes the magnetic properties, and modifying the microgels can affect their swelling ability and magnetic response. These findings are important for designing multi responsive systems with tunable particle matrix coupling strength.
Article
Physics, Applied
M. Foltyn, K. Norowski, M. J. Wyszynski, A. S. de Arruda, M. V. Milosevic, M. Zgirski
Summary: We demonstrate a superconducting nanodevice consisting of an aluminum square with integrated vortex traps and a Dayem nanobridge. By field cooling the traps, we show that the switching current of the bridge is highly sensitive to the presence and location of vortices. Our measurements accurately detect the first and successive vortex entries in traps ranging from few hundred nm to 2 μm in size, and the results are supported by simulations. This design provides a convenient platform for studying vortex dynamics in strongly confining geometries, with the potential for electronic manipulation and in situ control.
PHYSICAL REVIEW APPLIED
(2023)
Article
Chemistry, Physical
C. Z. Qiao, H. R. Jiang, S. L. Zhao, W. Dong
Summary: We propose a general approach based on morphological thermodynamics for determining adsorption isotherms. The accuracy and versatility of this approach are demonstrated by its comparison to Monte-Carlo simulation results and its ability to account for a wide range of porous media. It is found that the contribution of curvature terms to the chemical potential of confined fluid is negligible when the interface curvature is not too large. This finding is important for simplifying the treatment of experimental results of adsorption isotherms, as the determination of pore surface curvatures inside porous materials is currently not possible with experimental techniques.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Engineering, Environmental
Yuhang Wang, Saman A. Aryana
Summary: This study investigates the impact of confined fluid physics on methane phase behavior and transport in nano-sized pores. By modifying the Peng-Robinson equation of state and combining it with molecular dynamics simulation, a new equation of state is proposed to effectively describe fluid properties under confinement. The results show that under confinement, the fluid velocities are smaller, and the transport characteristics are altered under pressure influence.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Physics, Fluids & Plasmas
Philipp Marienhagen, Joachim Wagner
Summary: This study provides highly accurate equation-of-state data for the isotropic phase of oblate hard ellipsoids of revolution through cluster Monte Carlo simulations. The comparison with a virial approach highlights the importance of high-order virial coefficients and many-particle interactions in dense, isotropic systems of anisotropic particles. While a virial approach with a rescaled Carnahan-Starling correction reproduces the simulation data for moderately anisotropic particles accurately, a simple, heuristic equation of state is suggested for highly anisotropic shapes.
Article
Materials Science, Multidisciplinary
Zhao Huang, C. S. Ting, Jian-Xin Zhu, Shi-Zeng Lin
Summary: This study reports the existence of a gapless Higgs mode in the Fulde-Ferrell-Larkin-Ovchinnikov states. The Higgs mode associated with amplitude fluctuations of the superconducting gap is usually heavy, but in this particular state, it becomes gapless. The existence of the gapless Higgs mode is demonstrated and it is found to be more stable and detectable.
Article
Multidisciplinary Sciences
T. Shimojima, Y. Motoyui, T. Taniuchi, C. Bareille, S. Onari, H. Kontani, M. Nakajima, S. Kasahara, T. Shibauchi, Y. Matsuda, S. Shin
Summary: Nematicity, a common feature in the electronic phases of iron-based superconductors, has been studied in momentum space but not in real space until now. Using linear dichroism (LD), the nematic order parameters of nonmagnetic FeSe and antiferromagnetic BaFe2(As0.87P0.13)(2) were mapped out revealing peculiar sinusoidal waves of electronic nematicity with wavelengths more than 1000 times longer than the unit cell.
Article
Thermodynamics
Sashanka Sekhar Mandal, Sudhir Kumar Singh, Sanchari Bhattacharjee, Sandip Khan
Summary: The vapour-liquid phase equilibria of associating fluids under confinement were investigated using the GC-TMMC method. The role of surface sites on the phase behavior was critically examined, which significantly affected the structural behavior of coexistence phases. Near a functionalized surface, the orientation of associating fluid molecules was entirely different compared to a smooth surface.
FLUID PHASE EQUILIBRIA
(2021)
Article
Chemistry, Physical
Yusei Kobayashi, Noriyoshi Arai, Kenji Yasuoka
Summary: Despite extensive research, the behavior of confined liquids, especially in the mixed/boundary lubrication regime, remains unclear. This is due to difficulties in directly observing the behavior of lubricant molecules under non-equilibrium conditions, high computational costs for molecular simulations, and low signal-to-noise ratios at very low shear rates. In this study, the correlation between structure formation and shear viscosity of octamethylcyclotetrasiloxane confined between two mica surfaces was investigated. The results showed a strong correlation between the degree of molecular orientation and the shear viscosity of the confined liquids.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
S. M. Stishov
Summary: This study investigates the melting of a quantum system of hard spheres under the assumption that the effects of Bose and Fermi statistics can be ignored. The results show that, except for the case of T = 0, P = 0 where the two lines intersect, the quantum melting line always differs from the classical line. It is also concluded that the classical limit cannot be reached at any finite temperature.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Engineering, Chemical
Xiaojun Wu, Yanfeng He, Zhengfu Ning, Fangtao Lyu, Xiangji Dou, Bo Wu
Summary: This study proposes a confined adsorption model that achieves accurate results by modifying the equation of states and introducing the (3/8)rff assumption. The research finds that the confined effect has little impact on fluid-fluid repulsion, but as the pore size decreases, the fluid-wall interactive potential has a positive effect on confined adsorption.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Chemistry, Physical
Hertanto Adidharma, Sugata P. Tan
Summary: The new EOS based on the generalized vdW partition function can describe the phase transition of simple fluids in nanopores with uniform size without the need for an auxiliary equation traditionally used for capillary pressure derived from surface tension. Its promising performance calls for further extension to more complex fluids and porous media applications.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Daniel Stopper, Gerd E. Schroder-Turk, Klaus Mecke, Roland Roth
Summary: This study investigates the phase behavior of a simple fluid of hard spheres with a square-well attraction confined in triply periodic porous material, using density functional theory. By combining numerical results with morphometric thermodynamics, the dependency of the transition point between liquid and gas on the geometrical properties of the confining space is analyzed. The research demonstrates the potential of employing the morphometric approach to better understand the thermodynamic behavior of a simple fluid in complex porous materials, taking the first step towards characterizing experimental observations of pore space.
Article
Chemistry, Analytical
Daniel F. Kienle, Tonya L. Kuhl
ANALYTICA CHIMICA ACTA
(2016)
Article
Materials Science, Multidisciplinary
Daniel F. Kienle, Joao Ventrici de Souza, Tonya L. Kuhl
Article
Nanoscience & Nanotechnology
Andres F. Chaparro Sosa, Daniel F. Kienle, Rebecca M. Falatach, Jessica Flanagan, Joel L. Kaar, Daniel K. Schwartz
ACS APPLIED MATERIALS & INTERFACES
(2018)
Article
Polymer Science
David Faulon Marruecos, Daniel F. Kienle, Joel L. Kaar, Daniel K. Schwartz
Article
Chemistry, Multidisciplinary
Daniel F. Kienle, Rebecca M. Falatach, Joel L. Kaar, Daniel K. Schwartz
Article
Biochemical Research Methods
Daniel F. Kienle, Joao V. de Souza, Erik B. Watkins, Tonya L. Kuhl
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2014)
Article
Chemistry, Analytical
Daniel F. Kienle, Tonya L. Kuhl
ANALYTICAL CHEMISTRY
(2014)
Article
Biochemical Research Methods
Michael R. Hardisty, Daniel F. Kienle, Tonya L. Kuhl, Susan M. Stover, David P. Fyhrie
JOURNAL OF BIOMEDICAL OPTICS
(2014)
Article
Chemistry, Physical
Daniel F. Kienle, Daniel K. Schwartz
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2019)
Meeting Abstract
Chemistry, Multidisciplinary
Andres Chaparro Sosa, Daniel Kienle, Rebecca Falatach, Joel Kaar, Daniel Schwartz
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
Meeting Abstract
Chemistry, Multidisciplinary
Daniel Kienle, Joao Francisco Ventrici de Souza, Tonya Kuhl
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2016)