Free Energy of an Assembly of Nonspherical Molecules with a Hard Core

1968 ◽  
Vol 21 (8) ◽  
pp. 527-529 ◽  
Author(s):  
A. Bellemans
1998 ◽  
Vol 13 (02) ◽  
pp. 153-157
Author(s):  
BERGFINNUR DURHUUS ◽  
THORDUR JONSSON

Using the observation that configurations of N polymers with hard core interactions on a closed random surface correspond to random surfaces with N boundary components, we calculate the free energy of a gas of polymers interacting with fully quantized two-dimensioanal gravity. We derive the equation of state for the polymer gas and find that all the virial coefficients beyond the second one vanish identically.


2014 ◽  
Vol 69 (12) ◽  
pp. 665-672
Author(s):  
Akira Matsumoto

AbstractThe thermodynamic functions for Lennard-Jones (9,6) gases with a hard core that are evaluated till the third virial coefficients, are investigated at an isobaric process. Some thermodynamic functions are analytically expressed as functions of intensive variables, temperature, and pressure. Some thermodynamic quantities for carbon dioxide are calculated numerically and drawn graphically. In critical states, the heat capacity diverges to infinity at the critical point while the Gibbs free energy, volume, enthalpy, and entropy are continuous at the critical point. In the coexistence of two phases, the boiling temperatures and the enthalpy changes of vaporization are obtained by numerical calculations for 20 substances. The Gibbs free energy indicates a polygonal line; entropy, volume, and enthalpy jump from the liquid to gaseous phase at the boiling point. The heat capacity does not diverge to infinity but shows a finite discrepancy at boiling point. This suggests that a first-order phase transition at the boiling point and a second-order phase transition may occur at the critical point.


Author(s):  
M. BRUNA ◽  
M. BURGER ◽  
J. A. CARRILLO

The propagation of gradient flow structures from microscopic to macroscopic models is a topic of high current interest. In this paper, we discuss this propagation in a model for the diffusion of particles interacting via hard-core exclusion or short-range repulsive potentials. We formulate the microscopic model as a high-dimensional gradient flow in the Wasserstein metric for an appropriate free-energy functional. Then we use the JKO approach to identify the asymptotics of the metric and the free-energy functional beyond the lowest order for single particle densities in the limit of small particle volumes by matched asymptotic expansions. While we use a propagation of chaos assumption at far distances, we consider correlations at small distance in the expansion. In this way, we obtain a clear picture of the emergence of a macroscopic gradient structure incorporating corrections in the free-energy functional due to the volume exclusion.


1977 ◽  
Vol 66 (6) ◽  
pp. 2262-2271 ◽  
Author(s):  
Thomas B. MacRury ◽  
William A. Steele

2021 ◽  
Author(s):  
Suraj Kumar Sahu ◽  
Mithun Biswas

AbstractProtein-protein association in vivo occur in a crowded and complex environment. Theoretical models based on hard-core repulsion predict stabilization of the product under crowded conditions. Soft interactions, on the contrary, can either stabilize or destabilize the product formation. Here we modeled protein association in presence of crowders of varying size, shape, interaction potential and used different mixing parameters for constituent crowders to study the influence on the association reaction. It was found that size a more dominant factor in crowder-induced stabilization than the shape. Furthermore, in a mixture of crowders having different sizes but identical interaction potential, the change of free energy is additive of the free energy changes produced by individual crowders. However, the free energy change is not additive if two crowders of same size interact via different interaction potentials. These findings provide a systematic understanding of crowding influences in heterogeneous medium.


Soft Matter ◽  
2021 ◽  
Author(s):  
Dingning Li ◽  
Kai Zhang

Mesoparticles consisting of a hard core and a soft corona like polymer-grafted nanoparticles (PGNPs) can assemble into various superlattice structures, in which each mesoparticle assumes the shape of the corresponding...


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