Carbon Dioxide in the Dortmund Data Bank

Experimental Data, Property Prediction


Carbon dioxide (CO2) is one of the most important technically used components and by far the chemical that has the highest production. Most of the carbon dioxide is not produced in the chemical industry but comes from the combustion of mineral fuels in engines, power stations, and heating installations.
Carbon dioxide has become known even in the public in the last years because of the green house effect carbon dioxide creates in higher layers of the atmosphere.
Carbon dioxide is also a product and by-product of several chemical and biological processes and sometimes but rarely a reagent.

Carbon dioxide is a supercritical gas at normal conditions. Some of the basic properties are:

Critical Temperature 304 K
Critical Pressure 7376 kPa
Critical Volume 94 cm³/mol
Melting Temperature 216 K
Normal Boiling Temperature 185 K (Sublimation)
Molar Mass 44.01 g/mol

The Dortmund Data Bank contains all data from the GPA reports and other technical publications.


Single Data Banks

Vapor-liquid equilibria

This data bank is by far the biggest. It contains more than 9000 data sets for 1455 different mixtures with carbon dixoide. This data bank contains pressure, temperature, liquid and vapor compositions. Several data sets are not complete (the vapor composition is missing) due to the used measurement methods.

Azeotropic/zeotropic information

Most of the available data sets (90%) describe a zeotropic systems several of them telling that the system is supercritical at a specific condition. Only 90 data sets are describing azeotropes for nine different systems.


Activity coefficients at infinite dilution (binary systems)

Activity coefficients at infinite dilutions are not an important property for carbons dioxide since dioxide is supercritical at normal conditions. The DDB only contains therefore very few data points.

Gas solubilities

A lot of these data sets describe the solubility of carbon dioxide in amine solutions and some other alkaline solvents. These data are of great importance in the gas sweetening processes in the natural gas processing industry, refineries, and petrochemical plants. A new field of interest are CO2 reduced power plants.


Gas solubilities (electrolyte containing systems)

This data bank contains different mixtures all with carbon dioxide and water but with different electrolytes like sodium hydroxyde, ammonium chloride, potassium carbonate, and others.


Vapor-liquid equilibria for systems containing electrolytes

In this data bank sets for seven different mixtures are available.

Liquid-liquid equilibria

This data banks contains information about miscibility gaps for 196 different mixtures.

Excess Enthalpies

This data bank contains data for systems mainly at elevated pressures.









Salt solubilities

This data bank contains data for different systems with solved carbon dioxide at elevated pressures and mainly solubilities of carbonates.

Critical data of mixtures

This data bank contains data for systems with carbon dioxide.

Adsorbent/adsorptive equilibria

The AAE data bank contains data about the amount of carbon dioxide adsorbed on zeolites, activated carbons, silica gels, and other materials with microporous structures. Many data sets also contain a second or third adsorptive.

Solid-liquid equilibria

This data bank contains data (melting temperatures) for different mixtures with carbon dioxide.










Densities and (excess) volumes of mixtures

This data bank contains data for different mixture with carbon dioxide.

Thermophysical Data for Polymer Systems

The polymer data bank contains data for different systems with carbon dioxide. These include vapor-liquid and liquid-liquid equilibrium data with different polymers, gas solubilities, P-v-T related data and polymer swelling data.

Different thermodynamic properties

This data bank contains different mixtures with carbon dioxide. The list of properties is very wide-spread since this data bank also contains data type normally found in other data banks but can't be stored there because of limitations in the data bank formats.


Pure component properties

The PCP data banks contains a variety of data for the pure carbon dioxide. 

Property Prediction

The state-of-the-art prediction method is the VTPR (volume translated Peng-Robinson) method. VTPR is a combination of the group contribution method mod. UNIFAC (Do) with the PR equation of state. This combination allows the prediction of systems with supercritical components like carbon dioxide.

Scientific Papers

2004    Experimental Determination of Carbon Dioxide Solubility Data in Aqueous Alkanolamine Solutions    Sidi-Boumedine R., Horstmann S., Fischer K., Provost E., Fuerst W., Gmehling J.    Journal    Fluid Phase Equilib., 218, 1, 85 94 (2004)
2003    Experimental Determination and Prediction of Gas Solubility Data for CO2 + H2O Mixtures Containing NaNO3 or KNO3    Kiepe J., Horstmann S., Fischer K., Gmehling J.    Journal    Ind.Eng.Chem.Res., 42, 16, 3851 3856 (2003)
2002    Compressed Liquid Densities and Excess Volumes for the Binary Systems Carbon Dioxide + 1-Propanol and Carbon Dioxide + 2-Propanol Using a Vibrating Tube Densimeter up to 25 MPa    Zuniga-Moreno A., Galicia-Luna L.A., Horstmann S., Ihmels C., Gmehling J.    Journal    J.Chem.Eng.Data, 47, 6, 1418 1424 (2002)
2002    Experimental Determination and Prediction of Gas Solubility Data for CO2 + H2O Mixtures Containing NaCl or KCl at Temperatures between 313 and 393 K and Pressures up to 10 MPa    Kiepe J., Horstmann S., Fischer K., Gmehling J.    Journal    Ind.Eng.Chem.Res., 41, 17, 4393 4398 (2002)
2002    Solubility of H2S and CO2 in N-Octyl-2-pyrrolidone and of H2S in Methanol and Benzene    Fischer K., Chen J., Petri M., Gmehling J.    Journal    AIChE J., 48, 4, 887 893 (2002)
2001    Densities of Toluene, Carbon Dioxide, Carbonyl Sulfide, and Hydrogen Sulfide over a Wide Temperature and Pressure Range in the Sub- and Supercritical State    Ihmels E.C., Gmehling J.    Journal    Ind.Eng.Chem.Res., 40, 20, 4470 4477 (2001)
2000    Experimental Determination of the Critical Line for (Carbon Dioxide + Ethane) and Calculation of Various Thermodynamic Properties for (Carbon Dioxide + n-Alkane) using the PSRK Model    Horstmann S., Fischer K., Gmehling J., Kolar P.    Journal    J.Chem.Thermodyn., 32, 7, 451 464 (2000)