The aim of our research is to develop a theory, which can predict the behavior of confined fluids in nanoslit pores. The nanoslit pores studied in this work consist of two structureless and parallel walls in the xy plane located at 0 = z and H z = , in equilibrium with a bulk homogeneous fluid at the same temperature and at a given uniform bulk density. We have derived the following general equ...

Fluid properties of five binary mixtures relevant to shale gas and light tight oil in confined nano-channels are studied. Canonical (NVT) Monte Carlo simulations are used to determine internal energies of departure of pure fluids using the RASPA software system (Dubbeldam et al., 2015). The linear mixing rule proposed by Lucia et al. (2012) is used to determine internal energies of departure fo...

Biological macromolecules, living in the confines of a cell, often adopt conformations that are unlikely to occur in free space. In this paper, we investigate the effects of confinement on the shape of a semiflexible chain. Results of Monte Carlo simulations show the existence of a shape transition when the persistence length of the polymer becomes comparable to the dimensions of the box. An or...

Prolonged human spaceflight to another planet or an asteroid will introduce unique challenges of mitigating the risk of infection. During space travel, exposure to microgravity, radiation, and stress alter human immunoregulatory responses, which can in turn impact an astronaut's ability to prevent acquisition of infectious agents or reactivation of latent infection. In addition, microgravity af...

Synthetic microswimmers are envisioned to be useful in numerous applications, many of which occur in tightly confined spaces. It is therefore important to understand how confinement influences swimmer dynamics. Here we study the motility of bimetallic microswimmers in linear and curved channels. Our experiments show swimmer velocities increase, up to 5 times, with the degree of confinement, and...

We explore the impact of thermal fluctuations on nanofluidic transport. We develop a generic description of the stochastic motion of a fluid confined in a nanopore, on the basis of the fluctuating hydrodynamics framework. The center of mass of the confined fluid is shown to perform a non-markovian random walk, whose diffusion coefficient depends on the nanopore geometrical characteristics and b...

I& ABSTRACT (Mnu/vm 290 word) As outlined in the original proposal our work deals with NMR and laser Raman scattering experiments on highly viscous liquids, including lubricants, both in bulk and confined geometries, over a wide range of pressures and temperatures. In a general sense we focus on the relationship between molecular level properties as obtained from our experiments and the macrosc...

Empirical potential-based quasi-continuum theory (EQT) provides a route to incorporate atomistic detail into continuum framework such as the Nernst-Planck equation. EQT can also be used to construct a grand potential functional for classical density functional theory (cDFT). The combination of EQT and cDFT provides a simple and fast approach to predict the inhomogeneous density, potential profi...

The statistical geometry of cavities in a confined Lennard-Jones (LJ) fluid is investigated with the focus on metastable states in the vicinity of the stability limit of the liquidlike state. For a given configuration of molecules, a cavity is defined as a connected region where there is sufficient space to accommodate an additional molecule. By means of grand canonical Monte Carlo simulations,...

We report theoretical and numerical studies of the flow behaviour when a fluid is injected into a confined porous medium saturated with another fluid of different density and viscosity. For a two-dimensional configuration with point source injection, a nonlinear convection–diffusion equation is derived to describe the time evolution of the fluid–fluid interface. In the early time period, the fl...