25 papers · ranked by Valyu relevance
Mayumi Hamada, Pietro de Anna
Molecular diffusion in liquids is a key process in numerous systems: it is often the reaction rate limiting factor in biological or chemical reaction. Molecular diffusion has been recognized as the ultimate mechanism by which substances concentration get homogenized and, thus, their mixing and dilution occur. Here, we…
Gabriel Barreiro, Vladimir Pérez-Veloz
Diffusion is a fundamental physical phenomenon with critical applications in fields such as metallurgy, cell biology, and population dynamics. While standard diffusion is well-understood, anomalous diffusion often requires complex non-local models. This paper investigates a nonlinear diffusion equation where the…
Isaac Viviano
A procedure is presented to estimate the diffusion coefficient of a uniform patch of argon gas in a uniform background of helium gas. Molecular Dynamics (MD) simulations of the two gases interacting through the Lennard-Jones potential are carried out using the LAMMPS software package. In addition, finite-difference…
Xiaofeng Yang, Luyao Shang, Jian Sui
In the classical transport theory, the coefficients such as the diffusion, thermal conductivity and viscosity of fluid are usually expressed in a form proportional to the mean free path of molecules. We point out that this may cause a great misunderstanding in the molecular transport theory and prove from multiple…
Giuseppe Stefano Basile, Damiano Calcagno, Nunzio Tuccitto, Diego Sbardella + 1 more
'Diego Sbardella' 'Giuseppe Grasso'] Information regarding the dimension and the shape of molecules in solution represents a holy grail for chemists. Recently, newly designed surface plasmon resonance (SPR) methods to precisely measure the diffusion coefficients (D) (D-SPR) have been developed and applied successfully…
N. Bellotto, J. Agudo-Canalejo, R. Colin, R. Golestanian + 2 more
Inside prokaryotic cells, passive translational diffusion typically limits the rates with which cytoplasmic proteins can reach their locations. Diffusion is thus fundamental to most cellular processes, but the understanding of protein mobility in the highly crowded and non-homogeneous environment of a bacterial cell is…
Felipe Pereira-Alves, Diogo O. Soares-Pinto, Fernando Fernandes Paiva
The diffusion motion of spin-bearing molecules is considerably affected in confined environments. In Nuclear Magnetic Resonance (NMR) experiments, under the presence of magnetic field gradients, this movement can be encoded in spin phase and the NMR signal attenuation due to diffusion can be evaluated. This paper…
Achuthan Raja Venkatesh, Kathy H. Le, David M. Weld, Onn Brandman
While inhomogeneous viscosity has been identified as a ubiquitous feature of the cellular interior, its implications for particle mobility and concentration at different length scales have remained unexplored. In this work, we use agent-based simulations of diffusion to investigate how diverse manifestations of…
Achuthan Raja Venkatesh, Kathy H Le, David M Weld, Onn Brandman + 2 more
'Pierre Sens' 'Aleksandra M Walczak'] While inhomogeneous diffusivity has been identified as a ubiquitous feature of the cellular interior, its implications for particle mobility and concentration at different length scales remain largely unexplored. In this work, we use agent-based simulations of diffusion to…
Denis Polezhaev, Victor Kozlov, Antonio Viviani
The paper discusses a new technique for measuring the diffusion coefficient of vapor of a volatile fluid in air in long straight channels or porous media. The proposed experimental technique is universal and allows a) determining the coefficient of molecular diffusion of vapor of a volatile liquid in air; b)…
Jixin Chen
Predicting the reaction kinetics, that is, how fast a reaction can happen in a solution, is essential information for many processes, such as industrial chemical manufacturing, refining, synthesis and separation of petroleum products, environmental processes in air and water, biological reactions in cells, biosensing…
Alexander Schlaich, Jean‐Louis Barrat, Benoît Coasne
Microscopic to Coarse-Grained Descriptions Authors: ['Alexander Schlaich' 'Jean‐Louis Barrat' 'Benoît Coasne'] This review presents the state of the art on the theory, molecular simulation, and coarse-grained strategies applied to the transport of gases and liquids in nanoporous materials (pore size in the range 1 –…
Luca Mantovanelli, Dmitrii S. Linnik, Michiel Punter, Hildeberto Jardón Kojakhmetov + 2 more
We have developed Simulation-based Reconstructed Diffusion (SbRD) to determine diffusion coefficients corrected for confinement effects and for the bias introduced by two-dimensional models describing a three-dimensional motion. We validate the method on simulated diffusion data in three-dimensional cell-shaped…
Ali Mohammadi, Zhen Li, Sophie Marbach, Micheline Abbas
Particles diffusing near interfaces face anisotropic resistance to motion due to hydrodynamic interactions. While this has been extensively studied near hard interfaces since the works of Lorentz and Brenner, our understanding of diffusion near soft, thermally fluctuating interfaces remains limited. Previous studies…
Steven J. Moran, Ryan Oglietti, Kathleen C. Smith, Jed C. Macosko + 2 more
Viral and cellular particles too large to freely diffuse have two different types of mobility in the eukaryotic cell cytoplasm: directed motion mediated by motor proteins moving along cytoskeletal elements with the particle as its load, and motion in random directions mediated by motor proteins interconnecting…
Spencer Wozniak, Michael Feig
The viscosity and diffusion properties of crowded protein systems were investigated with molecular dynamics simulations of SH3 mixtures with different crowders, and results were compared with experimental data. The simulations accurately reproduced experimental trends across a wide range of protein concentrations…
Sadegh Ahmadpour, Raoof Gholami, Mojtaba Ghaedi, Martin J. Blunt
The transition to a hydrogen-based energy system requires safe and efficient large-scale storage solutions. Underground hydrogen storage (UHS) has emerged as a promising candidate, but the effectiveness and long-term security of UHS depend on a fundamental understanding of hydrogen transport mechanisms in subsurface…
Jixin Chen
Predicting the reaction kinetics, that is, how fast a reaction can happen in a solution, is essential information for many processes, such as industrial chemical manufacturing, refining, synthesis and separation of petroleum products, environmental processes in air and water, biological reactions in cells, biosensing…
Jixin Chen
Predicting the reaction kinetics, that is, how fast a reaction can happen in a solution, is essential information for many processes, such as industrial chemical manufacturing, refining, synthesis and separation of petroleum products, environmental processes in air and water, biological reactions in cells, biosensing…
Onofrio Annunziata, Domenico Lombardo
Diffusiophoresis is the isothermal migration of a colloidal particle through a liquid caused by a cosolute concentration gradient. Although diffusiophoresis was originally introduced using hydrodynamics, it can also be described by employing the framework of multicomponent diffusion. This not only enables the…
Sarthak Patnaik
We know that the diffusion is defined as the movement of molecules under a potential gradient. It is characterized by the diffusion coefficient. Diffusion coefficient determination can be done via various techniques, but in this paper, we have had a broad look at interferometry based optical methods for diffusion…
H. Mert Polat, Felipe M. Coelho, Thijs J. H. Vlugt, Luís Fernando Mercier Franco + 2 more
CO 2 in H 2 O: A Review of Experimental Studies and Molecular Simulations in the Bulk and in Confinement Authors: H. Mert Polat, Felipe M. Coelho, Thijs J. H. Vlugt, Luís Fernando Mercier Franco, Ioannis N. Tsimpanogiannis, Othonas A. Moultos An in-depth review of the available experimental and molecular simulation…
Jixin Chen
Diffusive adsorption/association is a fundamental step in almost all chemical reactions in diluted solutions, such as organic synthesis, polymerization, self-assembly, biomolecular interactions, electrode dynamics, catalysis, chromatography, air and water environmental dynamics, and social and market dynamics. However…
Jixin Chen
Predicting the reaction kinetics, that is, how fast a reaction can happen in a solution, is essential information for many processes, such as industrial chemical manufacturing, refining, synthesis and separation of petroleum products, environmental processes in air and water, biological reactions in cells, biosensing…
Ikechukwu Iloh Udema
Scientists seemed not to have explored mechanical kinetic energy, a path function for the determination of nonequilibrium binding energy (NEBE). The study explored mechanical kinetic energy, a path function in particles that requires nonequilibrium binding energy (NEBE) to counteract it. It aimed to show that there was…