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Phase Diagrams

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A phase diagram combines plots of pressure versus temperature for the liquid-gas, solid-liquid, and solid-gas phase-transition equilibria of a substance. These diagrams indicate the physical states that exist under specific conditions of pressure and temperature and also provide the pressure dependence of the phase-transition temperatures (melting points, sublimation points, boiling points). Regions or areas labeled solid, liquid, and gas represent single phases, while lines or curves represent...

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Related Experiment Video

Updated: May 8, 2026

A Uniaxial Compression Experiment with CO2-Bearing Coal Using a Visualized and Constant-Volume Gas-Solid Coupling Test System

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Structural evolution of carbon dioxide under high pressure.

Cheng Lu¹, Maosheng Miao, Yanming Ma

¹State Key Laboratory of Superhard Materials, Jilin University , Changchun 130012, People's Republic of China.

Journal of the American Chemical Society

|September 6, 2013

Summary

Solid carbon dioxide (CO2) resists hypervalent structures but can form stable 6-fold coordinated networks at extreme pressures. This reveals insights into carbon

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High-pressure Sapphire Cell for Phase Equilibria Measurements of CO2/Organic/Water Systems

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Published on: January 24, 2014

Area of Science:

Materials Science
Computational Chemistry
High-Pressure Physics

Background:

Stabilizing hypervalent carbon, especially with nonmetals, is a significant scientific challenge.
Previous research focused on synthesizing organic molecules with high carbon coordination numbers.

Purpose of the Study:

To investigate the structural evolution of solid carbon dioxide (CO2) under high pressure.
To identify novel high-pressure phases of CO2 and understand carbon's coordination limits.

Main Methods:

Employed an efficient structure search utilizing a particle swarm optimization algorithm.
Simulated high-pressure conditions to predict stable CO2 structures.

Main Results:

Identified two novel 6-fold coordinated structures of solid CO2 (Pbcn and Pa3 symmetries) stable near 1 TPa.
Observed that CO2 exhibits resistance to coordination beyond 4-fold but can form C-O octahedra networks.
C-O bond lengths at the 4-fold to 6-fold transition approach those in S(N)2 reaction transition states.

Conclusions:

Demonstrated the possibility of achieving 6-fold hypervalent carbon in solid CO2 under extreme pressure.
Provided insights into the resistivity of carbon towards hypervalency with nonmetals.
Highlighted the energetic barriers for reactions involving C-O bonds in hypervalent configurations.