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Entropy02:39

Entropy

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Salt particles that have dissolved in water never spontaneously come back together in solution to reform solid particles. Moreover, a gas that has expanded in a vacuum remains dispersed and never spontaneously reassembles. The unidirectional nature of these phenomena is the result of a thermodynamic state function called entropy (S). Entropy is the measure of the extent to which the energy is dispersed throughout a system, or in other words, it is proportional to the degree of disorder of a...
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Entropy01:18

Entropy

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The first law of thermodynamics is quantitatively formulated via an equation relating the internal energy of a system, the heat exchanged by it, and the work done on it. A quantitative formulation of the second law of thermodynamics leads to defining a state function, the entropy.
When an ideal gas expands isothermally, the disorder in the gas increases. From the molecular perspective, the gas molecules have more volume to move around in.
Consider an infinitesimal step in the expansion, which...
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Entropy and the Second Law of Thermodynamics01:20

Entropy and the Second Law of Thermodynamics

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The second law of thermodynamics can be stated quantitatively using the concept of entropy. Entropy is the measure of disorder of the system.
The relation  between entropy and disorder can be illustrated with the example of the phase change of ice to water. In ice, the molecules are located at specific sites giving a solid state, whereas, in a liquid form, these molecules are much freer to move. The molecular arrangement has therefore become more randomized. Although the change in average...
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Entropy and the Second Law of Thermodynamics01:26

Entropy and the Second Law of Thermodynamics

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Consider an isolated system in which a hot object is placed in contact with a cold one. This is an irreversible process that eventually leads both objects to reach the same equilibrium temperature. It is crucial to note that the constituents of any substance exhibit increased disorder at higher temperatures. As a cold substance absorbs heat, its constituents become more disordered. The energy transfer from a hotter object to a cooler one increases the system's disorder or randomness. This...
377
The Second Law of Thermodynamics01:14

The Second Law of Thermodynamics

5.2K
In the quest to identify a property that may reliably predict the spontaneity of a process, a promising candidate has been identified: entropy. Scientists refer to the measure of randomness or disorder within a system as entropy. High entropy means high disorder and low energy. To better understand entropy, think of a student’s bedroom. If no energy or work were put into it, the room would quickly become messy. It would exist in a very disordered state, one of high entropy. Energy must be...
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Second Law of Thermodynamics02:49

Second Law of Thermodynamics

21.7K
In the quest to identify a property that may reliably predict the spontaneity of a process, a promising candidate has been identified: entropy. Processes that involve an increase in entropy of the system (ΔS > 0) are very often spontaneous; however, examples to the contrary are plentiful. By expanding consideration of entropy changes to include the surroundings, a significant conclusion regarding the relation between this property and spontaneity may be reached. In thermodynamic...
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An analysis method of local entropy changes from atomic fluctuations.

Takafumi Ishii1, Takashi Kojima2, Yusuke Yasuda3

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Researchers developed a new molecular dynamics method to calculate local entropy in polymer networks. This breakthrough aids in understanding rubber elasticity and material properties by analyzing atomic fluctuations.

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Area of Science:

  • Polymer Science
  • Materials Science
  • Statistical Mechanics

Background:

  • Entropy is crucial for understanding the relationship between internal structure and macroscopic properties of elastomers.
  • Calculating local entropy variations in cross-linked polymer networks has been a significant challenge.
  • Rubber elasticity is fundamentally linked to the entropy of network strands.

Purpose of the Study:

  • To propose and validate a novel method for estimating local entropy in polymer networks.
  • To overcome the challenges in calculating local entropy variations.
  • To provide a tool for elucidating rubber elasticity and material properties.

Main Methods:

  • Utilized molecular dynamics simulations, specifically coarse-grained simulations.
  • Estimated local entropy by calculating the number of states from atomic fluctuations in phase space.
  • Validated the method against thermodynamic principles and thermodynamic integration.

Main Results:

  • The proposed method successfully estimates local entropy in polymer-network structures.
  • Calculated entropy values show qualitative agreement with thermodynamic principles.
  • The method's results align with values obtained from thermodynamic integration.
  • Demonstrated applicability to both entire systems and local structures within cross-linked polymers.

Conclusions:

  • The developed molecular dynamics-based method enables accurate estimation of local entropy in polymer networks.
  • This approach enhances the understanding of rubber elasticity and material properties.
  • The method is versatile, applicable to measuring entropy in both local and global structures.