Related Experiment Video
Updated: May 22, 2025

Orientational Transition in a Liquid Crystal Triggered by the Thermodynamic Growth of Interfacial Wetting Sheets
Published on: May 15, 2017
Molecular Dynamics Study on the Heat of Phase Transition of Chloroacetate from the Bulk to the Surface Phases
Bingyao Yuan1, Feiwu Chen1,2
1Department of Chemistry and Chemical Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083, China.
Abstract:
Based on the surface adsorption theory developed in our group and molecular dynamics simulations, the adsorption behaviors of methyl chloroacetate, ethyl chloroacetate, propyl chloroacetate, methyl dichloroacetate, and methyl trichloroacetate at the vapor-liquid interface have been thoroughly investigated. The surface layer thickness of these five liquids shows a significant increase as temperature increases, but it decreases significantly with the increase of intermolecular interactions of chloroacetates. It is found with our surface adsorption theory that the reversible heat of phase transition for chloroacetates from bulk phase to surface phase increases from methyl chloroacetate to propyl chloroacetate with the alkyl chain and also increases from methyl chloroacetate to methyl trichloroacetate as the number of chloro group increases. Molecular dynamics simulation is exploited to calculate the entropies of these five liquids in the surface and bulk regions at various temperatures. The variation trends of the simulated results are consistent with those of the phase transition heats determined with our surface adsorption theory.
Related Concept Videos
Phase Transitions
Phase Transitions: Vaporization and Condensation
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,...
Phase Transitions: Sublimation and Deposition
States of Matter and Phase Changes
Phase Changes
A substance melts or freezes at a temperature called its melting point and boils or condenses at its boiling point. These temperatures depend on pressure. High pressure favors the denser form of the substance, so typically, high pressure...

