Sorption strain as a packing phenomenon

文献信息

发布日期 2009-08-05

DOI 10.1039/B903514A

影响因子 3.676

作者

Gerrit Günther

查看原文

摘要

We employ Monte Carlo simulations in a semi-grand canonical ensemble to analyze the relation between sorption strains and the thermodynamic state of a confined fluid composed of “simple” fluid molecules that possess only translational degrees of freedom. Fluid molecules are confined to a slit-pore whose walls are composed of individual atoms distributed across the plane of each substrate according to the (100) structure of the face-centered cubic lattice. The substrates can be deformed to a certain extent on account of their own thermal energy and due to the interaction with the fluid molecules. We determine the phase diagram in both the bulk and in confinement for both rigid and deformable solid substrates. By using finite-size scaling concepts the location of the critical point is determined accurately. Our results indicate for the first time that the previously observed variation of sorption strains with the amount of adsorbed fluid material [G. Günther et al., Phys. Rev. Lett., 2008, 101, 086104] is caused by packing effects (i.e. stratification of the confined fluid) but is largely independent of the precise nature of the thermodynamic state considered.

期刊推荐

Molecular Diversity

Lab on a Chip

Journal of Enzyme inhibition and Medicinal Chemistry

Molecules

Coloration Technology

Green Chemistry

Journal of Medical Biochemistry

Current Pharmaceutical Biotechnology

Photochemical & Photobiological Sciences

Mini-Reviews in Medicinal Chemistry

来源期刊

Physical Chemistry Chemical Physics

CiteScore: 5.5

自引率: 10.3%

年发文量: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.