Thermodynamic models

The article presents a model and derives analytical expressions for Helmholtz free energy, the nearest neighbor distance, isothermal compressibility, the thermal expansion coefficient, the heat capacities at constant volume and constant pressure as functions of temperature, concentration of interstitial atoms, and film’s thickness for an interstitial binary alloy with a BCC structure based on the statistical moment method (SMM).

16p viaburame 14-03-2025 1 1   Download

Thermophysical properties of industrially complex fluids whose composition is always ill-defined are in practice predicted by using thermodynamic models. To ensure the prediction accurately and reliably, a three-step procedure to obtain the properties of these fluids must be validated. The focus of this study is laid on a short review of tools which can be served for each of the three steps.

10p vibenya 31-12-2024 7 2   Download

Lecture Monte carlo simulations: Application to lattice models, part I - Basics. The main contents of this chapter include all of the following: Introduction, thermodynamics and statistical mechanics, phase transition, probability theory.

32p whocare_d 22-09-2016 66 7   Download

We have investigated the thermodynamic properties of the cubic zirconia ZrO2 using the statistical moment method in the statistical physics. The free energy, thermal lattice expansion coefficient, specific heats at the constant volume and those at the constant pressure, CV and CP , are derived in closed analytic forms in terms of the power moments of the atomic displacements.

16p 12120609 01-06-2020 13 1   Download

In the context of this work, simplified models have been developed to describe the thermodynamics of power conversion, the energetics of multi-effect evaporation (MED), and the costs of electricity and heat cogenerated by the dual-purpose power plant.

16p christabelhuynh 30-05-2020 19 2   Download

A comparative study of thermodynamic and kinetic aspects of Cu(II) and Ni(II) binding at the N-terminal binding site of human and bovine serum albumins (HSA and BSA, respectively) and short peptide analogues was performed using potentiometry and spectroscopic techniques. It was found that while qualitative aspects of interaction (spectra and structures of complexes, order of reactions) could be reproduced, the quantitative parameters (stability and rate constants) could not.

9p research12 01-06-2013 44 4   Download

We have studied the stability of the histone-like, DNA-binding protein HU from the hyperthermophilic eubacteriumThermotoga maritimaand its E34D mutant by differential scanningmicrocalorimetry and CDunder acidic conditions at various concentrations within the range of 2–225lMof monomer. The thermal unfolding of both proteins is highly reversible and clearly follows a two-state dissociation/unfolding model from the folded, dimeric state to the unfolded, monomericone.

11p dell39 03-04-2013 48 4   Download

The thermodynamic stability of family 16 endo-b-1,3-glucanase (EC 3.2.1.39) from the hyperthermophilic archaeon Pyrococcus furiosusis decreased upon single (D287A, E53A) and double (E53A⁄D287A) muta-tion of Asp287 and Glu53. In accordance with the homology model predic-tion, both carboxylic acids are involved in the composition of a calcium binding site, as shown by titration of the wild-type and the variant proteins with a chromophoric chelator.

13p media19 05-03-2013 40 4   Download

In this paper we prove the global existence and uniqueness (regularity) of strong solutions to the three-dimensional viscous primitive equations, which model large scale ocean and atmosphere dynamics. 1. Introduction Large scale dynamics of oceans and atmosphere is governed by the primitive equations which are derived from the Navier-Stokes equations, with rotation, coupled to thermodynamics and salinity diffusion-transport equations, which account for the buoyancy forces and stratification effects under the Boussinesq approximation. ...

24p noel_noel 17-01-2013 50 7   Download

THERMODYNAMIC MODELING, ENERGY EQUIPARTITION, AND NONCONSERVATION OF ENTROPY FOR DISCRETE-TIME DYNAMICAL SYSTEMS WASSIM M. HADDAD, QING HUI, SERGEY G. NERSESOV, AND VIJAYSEKHAR CHELLABOINA Received 19 November 2004 We develop thermodynamic models for discrete-time large-scale dynamical systems. Specifically, using compartmental dynamical system theory, we develop energy flow models possessing energy conservation, energy equipartition, temperature equipartition, and entropy nonconservation principles for discrete-time, large-scale dynamical systems.

44p sting12 10-03-2012 57 7   Download