[图书][B] Energy landscapes, inherent structures, and condensed-matter phenomena

FH Stillinger - 2015 - books.google.com
This book presents an authoritative and in-depth treatment of potential energy landscape
theory, a powerful analytical approach to describing the atomic and molecular interactions in …

Shift in the Raman symmetric stretching band of N2, CO2, and CH4 as a function of temperature, pressure, and density

DM Sublett Jr, E Sendula, H Lamadrid… - Journal of Raman …, 2020 - Wiley Online Library
The Raman spectra of pure N2, CO2, and CH4 were analyzed over the range 10 to 500 bars
and from− 160° C to 200° C (N2), 22° C to 350° C (CO2), and− 100° C to 450° C (CH4). At …

Comprehensive representation of the Lennard-Jones equation of state based on molecular dynamics simulation data

S Pieprzyk, AC Brańka, S Maćkowiak… - The Journal of chemical …, 2018 - pubs.aip.org
The equation of state (EoS) of the Lennard-Jones fluid is calculated using a new set of
molecular dynamics data which extends to higher temperature than in previous studies. The …

Pressure-and temperature-dependent klinkenberg slippage effect in porous media to non-ideal gases

C Guria - Geoenergy Science and Engineering, 2023 - Elsevier
The present paper evaluates the effect of non-ideal gas behavior on the Klinkenberg gas
slippage effect for measuring the permeability of porous media. The generic cubic equation …

The Line of the Unit Compressibility Factor (Zeno-Line) for Crystal States

EM Apfelbaum, VS Vorob'ev - The Journal of Physical Chemistry …, 2020 - ACS Publications
We study the behavior of the line of the unit compressibility factor (Zeno-line) in crystalline
states. We used the Lennard-Jones system, experimental P–V–T data for a number of …

Isomorphism in Fluid phase diagrams: kulinskii transformations related to the acentric factor

Q Wei, DR Herschbach - The Journal of Physical Chemistry C, 2013 - ACS Publications
For a wide class of molecular fluids, the temperature–density phase diagrams exhibit two
prominent generic properties: a nearly linear locus, termed the Zeno line, along which the …

Prediction of the Boyle temperature, second virial coefficient and Zeno line using the cubic and volume–translated cubic equations of state

A Khoshsima, A Hosseini - Journal of Molecular Liquids, 2017 - Elsevier
In this study, the Boyle temperature of 174 substances are predicted using the cubic and
volume–translated cubic equations of state. In this regard, the Peng-Robinson (PR), Soave …

Structure and water attachment rates of ice in the atmosphere: Role of nitrogen

P Llombart, RM Bergua, EG Noya… - Physical Chemistry …, 2019 - pubs.rsc.org
In this work we perform computer simulations of the ice surface in order to elucidate the role
of nitrogen in the crystal growth rates and crystal habits of snow in the atmosphere. In pure …

Effective hardness of interaction from thermodynamics and viscosity in dilute gases

IH Bell - The Journal of chemical physics, 2020 - pubs.aip.org
The hardness of the effective inverse power law (IPL) potential, which can be obtained from
thermodynamics or collision integrals, can be used to demonstrate similarities between …

An atomistic fourth-order virial equation of state for argon from first principles calculations

J Wiebke, P Schwerdtfeger, GE Moyano, E Pahl - Chemical Physics Letters, 2011 - Elsevier
The virial equation of state up to fourth order for Argon is constructed using highly accurate
ab initio two-and three-body potentials. Experimental EOS data is reproduced within at …