Modeling the temperature dependent interfacial tension between organic solvents and water using dissipative particle dynamics

2013 ◽  
Vol 138 (9) ◽  
pp. 094703 ◽  
Author(s):  
E. Mayoral ◽  
A. Gama Goicochea
Keyword(s):  
Interfacial Tension ◽  
Organic Solvents ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Temperature Dependent

scholarly journals Dissipative Particle Dynamics Study on Interfacial Properties of Symmetric Ternary Polymeric Blends

Polymers ◽  
2021 ◽  
Vol 13 (9) ◽  
pp. 1516
Author(s):  
Dongmei Liu ◽  
Kai Gong ◽  
Ye Lin ◽  
Tao Liu ◽  
Yu Liu ◽  
...  
Keyword(s):  
Interfacial Tension ◽  
Chain Length ◽  
Triblock Copolymer ◽  
Diblock Copolymers ◽  
Triblock Copolymers ◽  
Dissipative Particle Dynamics ◽  
Interfacial Properties ◽  
Particle Dynamics ◽  
Polymeric Blends ◽  
Polymer Component

We investigated the interfacial properties of symmetric ternary An/AmBm/Bn and An/Am/2BmAm/2/Bn polymeric blends by means of dissipative particle dynamics (DPD) simulations. We systematically analyzed the effects of composition, chain length, and concentration of the copolymers on the interfacial tensions, interfacial widths, and the structures of each polymer component in the blends. Our simulations show that: (i) the efficiency of the copolymers in reducing the interfacial tension is highly dependent on their compositions. The triblock copolymers are more effective in reducing the interfacial tension compared to that of the diblock copolymers at the same chain length and concentration; (ii) the interfacial tension of the blends increases with increases in the triblock copolymer chain length, which indicates that the triblock copolymers with a shorter chain length exhibit a better performance as the compatibilizers compared to that of their counterparts with longer chain lengths; and (iii) elevating the triblock copolymer concentration can promote copolymer enrichment at the center of the interface, which enlarges the width of the phase interfaces and reduces the interfacial tension. These findings illustrate the correlations between the efficiency of copolymer compatibilizers and their detailed molecular parameters.

Energy-conserving dissipative particle dynamics with temperature-dependent properties

2014 ◽  
Vol 265 ◽  
pp. 113-127 ◽  
Author(s):  
Zhen Li ◽  
Yu-Hang Tang ◽  
Huan Lei ◽  
Bruce Caswell ◽  
George Em Karniadakis
Keyword(s):  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Temperature Dependent ◽  
Energy Conserving ◽  
Temperature Dependent Properties

Generalised dissipative particle dynamics with energy conservation: density- and temperature-dependent potentials

2019 ◽  
Vol 21 (45) ◽  
pp. 24891-24911 ◽  
Author(s):  
Josep Bonet Avalos ◽  
Martin Lísal ◽  
James P. Larentzos ◽  
Allan D. Mackie ◽  
John K. Brennan
Keyword(s):  
Energy Conservation ◽  
Force Fields ◽  
Dissipative Particle Dynamics ◽  
Particle Interaction ◽  
Interaction Force ◽  
Particle Dynamics ◽  
Temperature Dependent ◽  
Energy Conserving ◽  
Dynamics Method

Energy-conserving dissipative particle dynamics method appropriate for particle interaction force fields that are both density- and temperature-dependent.

Sign in / Sign up

Export Citation Format

Share Document