Density functional theory of surface tension of real fluids using a double well type Helmholtz free energy functional: application to water and heavy water

2012 ◽  
Vol 111 (4) ◽  
pp. 589-593 ◽  
Author(s):  
Satinath Ghosh ◽  
Swapan K. Ghosh
Keyword(s):  
Density Functional Theory ◽  
Surface Tension ◽  
Free Energy ◽  
Heavy Water ◽  
Density Functional ◽  
Helmholtz Free Energy ◽  
Energy Functional ◽  
Functional Theory ◽  
Free Energy Functional ◽  
Real Fluids

scholarly journals Modelling inelastic Granular Media Using Dynamical Density Functional Theory

2021 ◽  
Vol 183 (1) ◽  
Author(s):  
B. D. Goddard ◽  
T. D. Hurst ◽  
R. Ocone
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Granular Media ◽  
Helmholtz Free Energy ◽  
Pair Correlation ◽  
Collision Operator ◽  
Energy Functional ◽  
Interparticle Interactions ◽  
Functional Theory ◽  
Closure Relations

AbstractWe construct a new mesoscopic model for granular media using Dynamical Density Functional Theory (DDFT). The model includes both a collision operator to incorporate inelasticity and the Helmholtz free energy functional to account for external potentials, interparticle interactions and volume exclusion. We use statistical data from event-driven microscopic simulations to determine the parameters not given analytically by the closure relations used to derive the DDFT. We numerically demonstrate the crucial effects of each term and approximations in the DDFT, and the importance of including an accurately parametrised pair correlation function.

scholarly journals Application of reference-modified density functional theory: Temperature and pressure dependences of solvation free energy

2017 ◽  
Vol 39 (4) ◽  
pp. 202-217 ◽  
Author(s):  
Tomonari Sumi ◽  
Yutaka Maruyama ◽  
Ayori Mitsutake ◽  
Kenji Mochizuki ◽  
Kenichiro Koga
Keyword(s):  
Density Functional Theory ◽  
Free Energy ◽  
Density Functional ◽  
Solvation Free Energy ◽  
Functional Theory ◽  
Temperature And Pressure

Density functional theory of simple polymers in a slit pore. III. Surface tension

2000 ◽  
Vol 113 (5) ◽  
pp. 2021-2024 ◽  
Author(s):  
Justin B. Hooper ◽  
John D. McCoy ◽  
John G. Curro ◽  
Frank van Swol
Keyword(s):  
Density Functional Theory ◽  
Surface Tension ◽  
Density Functional ◽  
Functional Theory ◽  
Slit Pore
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