Concept

Entropy (classical thermodynamics)

Related publications (138)

Configurational entropy of hard spheres

We numerically calculate the configurational entropy Sconf of a binary mixture of hard spheres, by using a perturbed Hamiltonian method trapping the system inside a given state, which requires fewer assumptions than the previous methods (Speedy 1998 Mol.Ph ...

2007

Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: Application to the intramolecular hydrogen transfer in pentadiene

Jiri Vanicek

The quantum instanton approximation is used to compute kinetic isotope effects for intramolecular hydrogen transfer in cis-1,3-pentadiene. Due to the importance of skeleton motions, this system with 13 atoms is a simple prototype for hydrogen transfer in e ...

2007

Quo vadis thermodynamics and the city: a critical review of applications of thermodynamic methods to urban systems

Jean-Louis Scartezzini, Darren Robinson, Nataliya Filchakova

Cities are complex dynamic entities. From a thermodynamic perspective, they represent open systems, constantly importing and exporting energy and matter across their boundaries; the output invariably being less ordered due to irreversible internal processe ...

2007

Rational Tuning of Melting Entropies for Designing Luminescent Lanthanide-Containing Thermotropic Liquid Crystals at Room Temperature

Jean-Claude Bünzli, Frédéric Gumy, Annina Aebischer

The connection of twelve peripheral and divergent dodecyloxy chains to a central tridentate aromatic binding unit provides the dodecacatenar ligand L11, for which room- temperature mesomorphism is detected. An enthalpically unbalanced large melting entropy ...

2007

A Metallacage Encapsulating Chloride as a Probe for a Solvation Scale in Ionic Liquids

Paul Joseph Dyson, Corinne Daguenet

With the purpose of assessing the reactivity of chloride ions dissolved in ionic liquids (ILs), a relative scale for the solvation of chloride is given for a series of ILs based on the bis(trifluoromethane)sulfonimide ([Tf2N]) anion and differen ...

2007

New conservative gyrokinetic full-f Vlasov code and its comparison to gyrokinetic delta f particle-in-cell code

Laurent Villard

A new conservative gyrokinetic full-f Vlasov code is developed using a finite difference operator which conserves both the L1 and L2 norms. The growth of numerical oscillations is suppressed by conserving the L2 norm, and the code is numerically stable and ...

2007

Why Are Ionic Liquids Liquid? A Simple Explanation Based on Lattice and Solvation Energies

Paul Joseph Dyson, Corinne Daguenet

We have developed a simple and quant. explanation for the relatively low melting temps. of ionic liqs. (ILs). The basic concept was to assess the Gibbs free energy of fusion (ΔfusG) for the process IL(s) -> IL(l), which relates to the m.p. ...

2006

Opening a new window for warm dark matter

We explore the range of parameters for dark-matter sterile neutrinos in an extension of the Minimal Standard Model by three singlet fermions with masses below the electroweak scale (the νMSM). This simple model can explain a wide range of phenomena, includ ...

2006

Multi-resolution Spectral Entropy Based Feature for Robust ASR

Hervé Bourlard, Hemant Misra, Shajith Ikbal

Recently, entropy measures at different stages of recognition have been used in automatic speech recognition (ASR) task. In a recent paper, we proposed that formant positions of a spectrum can be captured by multi-resolution spectral entropy feature. In th ...

2005

Diffusivity and configurational entropy maxima in short range attractive colloids

Giuseppe Foffi, Francesco Sciortino

We study tagged particle diffusion at large packing fractions, for a model of particles interacting with a generalized Lennard-Jones 2n-n potential, with large n. The resulting short range potential mimics interactions in colloidal systems. In agreement wi ...

2005

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