: Carbon Dioxide

DDB

Software Package

Carbon Dioxide

Quantumchemical Models

GPA-Package

Biodiesel Related Data

Academic

Free Explorer Edition

Consulting

Carbon Dioxide in the Dortmund Data Bank

Experimental Data, Property Prediction

Introduction

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

Property	Value
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

Carbon Dioxide is a component frequently measured. In the DDB it holds place 3 in the data sets list behind water and benzene and place 2 in the data points list. For water the DDB contains more than 86000 data sets and for carbon dioxide more than 18500 sets.

Overview

Databank	Sets	Points	References
Adsorbent/adsorptive equilibria	405	4135	47
Activity coefficients at infinite dilution (binary systems)	11	11	1
Azeotropic/zeotropic information	804	804	177
Critical data of mixtures	445	3743	163
Gas solubilities (electrolyte containing systems)	370	2060	34
Vapor-liquid equilibria for systems containing solved salts	40	416	4
Salt solubilities	83	775	20
Gas solubilities	2471	13657	422
Heats of mixing	887	12653	69
Vapor-liquid equilibria	9098	78571	1195
Liquid-liquid equilibria	382	2285	69
Pure component properties	1660	16992	419
Thermophysical data for polymer mixtures	625	9137	111
Solid-liquid equilibria for systems without salts	249	2206	58
Densities and (excess) volumes of mixtures	479	2875	28
Different thermodynamic properties	685	13734	63
Sum	18694	164054	(2880)

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 This data bank contains 463 different mixtures with carbon dioxide. 386 different solvents are available. 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 51 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 52 different systems mainly at elevated pressures.
Salt solubilities This data bank contains data for 34 different systems with solved carbon dioxide at elevated pressures and mainly solubilities of carbonates.
Critical data of mixtures This data bank contains data for 203 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 84 different mixtures with carbon dioxide.
Densities and (excess) volumes of mixtures This data bank contains data for 31 different mixture with carbon dioxide.
Thermophysical Data for Polymer Systems The polymer data bank contains data for 163 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 116 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. The most important are listed below:

Property	Sets	Points	References
Dynamic Viscosity	347	2809	79
Vapor Pressure	132	1252	102
Critical Data	57	57	51
Triple Point	5	9	5
Kinematic Viscosity	104	120	2
Density	568	7948	93
Melting Point	14	35	14
Molar Heat Capacity (cP)	165	835	16
Virial Coefficients	38	201	35
Thermal Conductivity	105	1309	61
Molar Heat Capacity (cV)	54	1073	7
Ideal Gas Heat Capacity	8	287	8
Dielectric Constant	3	27	2
Speed of Sound	24	439	4

Property Prediction

The state-of-the-art prediction method is the PSRK (Predictive Soave-Redlich-Kwong) method. PSRK is a combination of the group contribution method UNIFAC with the SRK 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)