In this study, molecular dynamics simulations are performed to estimate the equilibrium pressure of liquid confined in nanopores. The show that is highly sensitive pore size and can significantly change from absolute positive negative values for a very small (0.1 nm) size. contribution solid–liquid interaction always dominates first layer adjacent surface sensitiveness on dependent atom distrib...

ZSM-5 zeolite is an aluminosilicate that usually has a high silica-to-alumina ratio. It contains two sets of nanopores. One set of nanopores is straight, with the cross-sectional size of 5.3 5.6 Å; the other set is Sshaped, with the cross-sectional size of 5.2 5.5 Å. An A1 atom at the center of an AlO4 tetrahedron connects to adjacent SiO4 tetrahedron by sharing an O atom and thus generates a n...

About 50% of the cellular proteins have to be transported into or across cellular membranes. This transport is an essential step in the protein biosynthesis. In eukaryotic cells secretory proteins are transported into the endoplasmic reticulum before they are transported in vesicles to the plasma membrane. Almost all proteins of the endosymbiotic organelles chloroplasts and mitochondria are syn...

The authors investigate the translocation dynamics of heteropolymers driven through a nanopore using a constant temperature Langevin thermostat. Specifically, they consider heteropolymers consisting of two types of monomers labeled A and B, which are distinguished by the magnitude of the driving force that they experience inside the pore. From a series of studies on polymers with sequences AmBn...

Capillary condensation hysteresis in nanopores is studied by Monte Carlo simulations and the nonlocal density functional theory. Comparing the theoretical results with the experimental data on low temperature sorption of nitrogen and argon in cylindrical channels of mesoporous siliceous molecular sieves of MCM-41 type, we have revealed four qualitatively different sorption regimes depending on ...

We describe calculations of the properties of quantum fluids inside nanotubes of various sizes. Very small radius (R) pores confine the gases to a line, so that a one-dimensional (1D) approximation is applicable; the low temperature behavior of 1D He is discussed. Somewhat larger pores permit the particles to move off axis, resulting eventually in a transition to a cylindrical shell phase—a thi...