Local nonequilibrium thermodynamics of polymer collapse dynamics

Area of Science:

• Thermodynamics
• Soft Matter Physics
• Computational Chemistry

Background:

• Nonequilibrium thermodynamics is vital for physical and chemical processes.
• Defining local thermodynamic quantities during nonequilibrium processes remains a challenge.
• The Jinwoo-Tanaka (JT) formalism offers a new approach to define local thermodynamic properties.

Purpose of the Study:

• To apply the JT formalism to a polymer collapse model.
• To analyze nonequilibrium dynamics using local thermodynamic quantities.
• To validate the JT formalism's fluctuation theorem.

Main Methods:

• Langevin dynamics simulations were employed.
• The polymer collapse process was modeled.
• End-to-end distance served as the mesoscopic variable.

Main Results:

• Conformational free energy, lost information, and nonequilibrium free energy were quantified over time and conformation.
• The study validated the JT's work fluctuation theorem.
• Local thermodynamic properties were successfully defined for the polymer collapse model.

Conclusions:

• The JT formalism is effective for analyzing dynamic thermodynamic behavior in soft matter systems.
• The study demonstrates the utility of the JT formalism in complex nonequilibrium processes.
• This work provides a framework for understanding local thermodynamics in dynamic systems.