The phase behavior of hydrocarbon fluids confined in porous media has been reported to deviate significantly from that in the bulk environment due to the existence of sub-10nm pores. Though experiments and simulations have measured the bubble/dew points and sorption isotherms of hydrocarbons confined in both natural and synthetic nanopores, the confinement effects in terms of the strength of fluid-pore interactions tuned by surface wettability and chemistry have received comparably less discussion. More importantly, the underlying physics of confinement-induced phenomena remain obfuscated. In this work, we studied the phase behavior and capillary condensation of n-hexane to understand the effects of confinement at the molecular level. To systematically investigate the pore effects, we constructed two types of wall confinements; one is a structureless virtual wall described by the Steele potential and the other one is an all-atom amorphous silica structure with surface modified by hydroxyl groups. Our numerical results demonstrated the importance of fluid-pore interaction, pore size, and pore morphology effects in mediating the pressure-volume-temperature (PVT) properties of hydrocarbons. The most remarkable finding of this work was that the saturation pressure predicted from the van der Waals-type adsorption isothermal loop could be elevated or suppressed relative to the bulk phase, as illustrated in the graphical abstract. As the surface energy (i.e., fluid-pore interaction) decreased, the isothermal vapor pressure increased, indicating a greater preference for the fluid to exist in the vapor state. Sufficient reduction of the fluid-pore interactions could even elevate the vapor pressure above that of the bulk fluid.
In a system of colloidal inclusions suspended in a thermalized bath of smaller particles, the bath engenders an attractive force between the inclusions, arising mainly from entropic origins, known as the depletion force. In the case of active bath particles, the nature of the bath-mediated force changes dramatically from an attractive to a repulsive one, as the strength of particle activity is increased. We study such bath-mediated effective interactions between colloidal inclusions in a bath of self-propelled Brownian particles, being confined in a narrow planar channel. Confinement is found …
Kerogen-rich shale reservoirs will play a key role during the energy transition, yet the effects of nano-confinement on the NMR relaxation of hydrocarbons in kerogen are poorly understood. We use atomistic MD simulations to investigate the effects of nano-confinement on the $^1$H NMR relaxation times $T_1$ and $T_2$ of heptane in kerogen. In the case of $T_1$, we discover the important role of confinement in reducing $T_1$ by $\sim$3 orders of magnitude from bulk heptane, in agreement with measurements of heptane dissolved in kerogen from the Kimmeridge Shale, without any models or free parame…
Colloidal inclusions suspended in a bath of smaller particles experience an effective bath-mediated attraction at small intersurface separations, which is known as the depletion interaction. In an active bath of nonchiral self-propelled particles, the effective force changes from attraction to repulsion; an effect that is suppressed, when the active bath particles are chiral. Using Brownian Dynamics simulations, we study the effects of channel confinement and bath chirality on the effective forces and torques that are mediated between two inclusions that may be fixed within the channel or may …
A non-perturbative method is introduced to measure the particle-particle interaction strengths and in-situ confinement for a vertically aligned dust particle pair in a complex plasma. The intrinsic thermal motion of each particle is tracked, allowing the interaction strengths and confinement in both the vertical and horizontal directions to be determined simultaneously. The method is validated through quantitative agreement with previous measurements of the non-reciprocal interaction strength in the vertical direction, the horizontal ion wake attraction, and the charge reduction and heating of…
Nematic and columnar phases of lyotropic chromonic liquid crystals (LCLCs) have been long studied for their fundamental and applied prospects in material science and medical diagnostics. LCLC phases represent different self-assembled states of disc-shaped molecules, held together by noncovalent interactions that lead to highly sensitive concentration and temperature dependent properties. Yet, microscale insights into confined LCLCs, specifically in the context of confinement geometry and surface properties, are lacking. Here, we report the emergence of time dependent textures in static disodiu…
Multiscale Decoupling in Peptide-Membrane Interactions: From Elastic Softening to Domain-Mediated Stiffening
Bhabha Atomic Research Centre（巴巴原子研究中心）；Homi Bhabha National Institute（霍米·巴巴国家研究所）；Oak Ridge National Laboratory（橡树岭国家实验室）；Shiv Nadar Institution of Eminence（希夫·纳达尔卓越机构）
The force between two approaching solids in a liquid medium becomes increasingly large with decreasing separation, a phenomenon that prevents contact between the two solids. This growth in force occurs because of the intervening liquid, and, studies of such physical systems constitute the classical discipline of lubrication. Furthermore, when the solid(s) are soft, there are quantitative as well as qualitative alterations in the force interaction due to the solids' deformation. The underlying physics as well as resultant system behaviour are even more complex when forces of non-hydrodynamic or…
Universidade de Lisboa（里斯本大学）；Eindhoven University of Technology（埃因霍温理工大学）；University of Bordeaux（波尔多大学）；University of Torino（都灵大学）；Cornell University（康奈尔大学）；ESPCI Paris, Université PSL（巴黎高等物理化工学院，巴黎文理研究大学）；Utrecht University（乌得勒支大学）；University of Sheffield（谢菲尔德大学）
We experimentally study the dynamics of active particles (APs) in a viscoelastic fluid under various geometrical constraints such as flat walls, spherical obstacles and cylindrical cavities. We observe that the main effect of the confined viscoelastic fluid is to induce an effective repulsion on the APs when moving close to a rigid surface, which depends on the incident angle, the surface curvature and the particle activity. Additionally, the geometrical confinement imposes an asymmetry to their movement, which leads to strong hydrodynamic torques, thus resulting in detention times on the wall…
Fluids confined in nanopores are ubiquitous in nature and technology. In recent years, the interest in confined fluids has grown, driven by research on unconventional hydrocarbon resources -- shale gas and shale oil, much of which are confined in nanopores. When fluids are confined in nanopores, many of their properties differ from those of the same fluid in the bulk. These properties include density, freezing point, transport coefficients, thermal expansion coefficient, and elastic properties. The elastic moduli of a fluid confined in the pores contribute to the overall elasticity of the flui…
