Thermodynamic length is a metric distance between equilibrium thermodynamic states. Among other interesting properties, this metric asymptotically bounds the dissipation induced by a finite time transformation of a thermodynamic system. It is also connected to the Jensen-Shannon divergence, Fisher information, and Rao's entropy differential metric. Therefore, thermodynamic length is of central ...

The electronic and structural properties of single wall carbon nanotubes (SWCNTs) interacted with 4-amino phenyl-azobenzene were theoretically investigated by using the hybrid DFT (hybrid-density functional theory) calculations. The amount of thermodynamic parameters of this reaction in the gas and aqueous phase suggesting thermodynamic favourability for adsorption of 4-amino phenyl-azobenzene ...

We present work on 3D hypersonic laminar flows of air around blunt bodies with applied magnetic fields of various strengths. The air is heated by a shock that can change its thermodynamic properties. We treat the air both as a calorically perfect gas (chemically frozen) and as a real gas in thermodynamic equilibrium. Due to the high temperature the thermodynamic properties of the air are affect...

In this research 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) were attached with different nano structures of fullerene with 20, 24 and 60 carbons producing nano structures with diverse molecular weights. Then by the use of density functional theory methods, thermodynamic parameters of TATB with foregoing nanostructures, in wide of temperature, between 300-400 ºK were computed. To this purpo...

The electronic and structural properties of single wall carbon nanotubes (SWCNTs) interacted with 4-amino phenyl-azobenzene were theoretically investigated by using the hybrid DFT (hybrid-density functional theory) calculations. The amount of thermodynamic parameters of this reaction in the gas and aqueous phase suggesting thermodynamic favourability for adsorption of 4-amino phenyl-azobenzene ...

Vibrational and thermodynamic properties of forsterite at mantle conditions Li Li , Renata M. Wentzcovitch, Donald J. Weidner, Cesar R. S. Da Silva 1. Department of Geosciences, Mineral Physics Institute, Stony Brook University, Stony Brook, NY, 11790, USA 2. Department of Chemical Engineering and Materials Science, Minnesota Supercomputing Institute for Digital Technology and Advanced Computat...

In this study explosive substance [2.4.6] three Nitro Toluene (TNT) was attached with nanostructures of fullerene (C24) and boron nitride nano-cages (B12N12). After that using B3LYP (Becke, three-parameter, Lee-Yang-Parr), a method from density functional theory (DFT), thermodynamic parameters of TNT with foregoing nanostructures, in different conditions of temperature, were computed. To this a...

Simple practical expressions that allow estimation of thermodynamic properties of Yukawa fluids in a wide range of coupling, up to the fluid-solid phase transition, are presented. These expressions demonstrate excellent agreement with the available results from numerical simulations. The approach provides simple and accurate tools to estimate thermodynamic properties of Yukawa fluids and relate...

Thermodynamic (Anderson 2005) and elastic properties (Musgrave 1970) of minerals provide the fundamental information needed to analyze seismic observations and to model Earth’s dynamic state. The connection between pressure, temperature, chemical composition, and mineralogy that produce seismic velocity gradients, heterogeneities, and discontinuities, can be established with knowledge of thermo...

The thermodynamic properties of fluids can be predicted using the global equations of state. Among these thermodynamic properties of fluids, we choose the densities of the liquid and vapor phases. This paper considers the application of the crossover model to the vapor-liquid rectilinear diameter of ethane. We also present a comparison of the crossover model equation with the experimental data....