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Related Concept Videos

States of Matter and Phase Changes00:59

States of Matter and Phase Changes

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The internal energy of a substance—the total kinetic energy of all its molecules and the potential energy of their associated forces—depends on the strength of the intermolecular forces in the condensed phases and the pressure exerted on the substance. The internal energy of a substance is the highest in the gaseous state, the lowest in the solid state, and intermediate in the liquid state. Phase transitions are caused by changes in physical conditions, such as temperature and...
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Phase Transitions02:31

Phase Transitions

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Whether solid, liquid, or gas, a substance's state depends on the order and arrangement of its particles (atoms, molecules, or ions). Particles in the solid pack closely together, generally in a pattern. The particles vibrate about their fixed positions but do not move or squeeze past their neighbors. In liquids, although the particles are closely spaced, they are randomly arranged. The position of the particles are not fixed—that is, they are free to move past their neighbors to...
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Path Between Thermodynamics States01:21

Path Between Thermodynamics States

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Consider the two thermodynamic processes involving an ideal gas that are represented by paths AC and ABC in Figure 1:
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Phase Transitions: Melting and Freezing02:39

Phase Transitions: Melting and Freezing

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Heating a crystalline solid increases the average energy of its atoms, molecules, or ions, and the solid gets hotter. At some point, the added energy becomes large enough to partially overcome the forces holding the molecules or ions of the solid in their fixed positions, and the solid begins the process of transitioning to the liquid state or melting. At this point, the temperature of the solid stops rising, despite the continual input of heat, and it remains constant until all of the solid is...
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Heating and Cooling Curves02:44

Heating and Cooling Curves

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When a substance—isolated from its environment—is subjected to heat changes, corresponding changes in temperature and phase of the substance is observed; this is graphically represented by heating and cooling curves.
For instance, the addition of heat raises the temperature of a solid; the amount of heat absorbed depends on the heat capacity of the solid (q = mcsolidΔT). According to thermochemistry, the relation between the amount of heat absorbed or released by a substance, q, and its...
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Thermodynamic Systems01:06

Thermodynamic Systems

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A thermodynamic system is a set of objects whose thermodynamic properties are of interest. The system is considered to be embedded in its surroundings or the environment. The system and its environment can exchange heat and do work on each other through a boundary that separates them. However, the immediate surroundings of the system interact with it directly and therefore have a much stronger influence on its behavior and properties.
Consider an example of  tea boiling in a kettle. The...
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Temperature-Controlled Assembly and Characterization of a Droplet Interface Bilayer
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Inverse Thermodynamics: Designing Interactions for Targeted Phase Behavior.

Camilla Beneduce1, Giuseppe Mastriani1, Petr Šulc2,3

  • 1Dipartimento di Fisica, Sapienza Università di Roma, P.le Aldo Moro 5, 00185 Rome, Italy.

The Journal of Physical Chemistry. B
|September 19, 2025
PubMed
Summary
This summary is machine-generated.

We developed inverse thermodynamics to design particle interactions for specific phase behavior. This allows precise control over azeotropic demixing in mixtures, enabling targeted thermodynamic engineering.

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A Modeling and Simulation Method for Preliminary Design of an Electro-Variable Displacement Pump
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Area of Science:

  • * Computational chemistry and materials science.
  • * Statistical mechanics and thermodynamics.

Background:

  • * Inverse self-assembly traditionally focuses on designing interactions for target structures.
  • * Achieving stable self-assembly requires control over thermodynamic conditions.
  • * Existing inverse design methods often neglect thermodynamic stability.

Purpose of the Study:

  • * To extend inverse design to control thermodynamic behavior (inverse thermodynamics).
  • * To develop a framework for designing interaction potentials that yield specific thermodynamic properties.
  • * To demonstrate programming of targeted phase behavior in patchy particle mixtures.

Main Methods:

  • * Development of a novel inverse thermodynamics framework.
  • * Utilizing patchy particle mixtures as a model system.
  • * Employing Gibbs-ensemble simulations for validation.

Main Results:

  • * Precise control over bonding topology and energetics enables targeted phase behavior programming.
  • * Established design principles for azeotropic demixing.
  • * Demonstrated creation of mixtures exhibiting azeotropy at any specified composition.

Conclusions:

  • * Coupling structural design with thermodynamic engineering is essential.
  • * The developed framework provides a blueprint for controlling complex phase behavior.
  • * This approach enables precise engineering of thermodynamic properties in multicomponent systems.