: DDB

Dortmund Data Bank

With a view to the synthesis and design of separation processes, fitting and critical examination of model parameters used for process simulation and the development of group contribution methods 1973 a computerized data bank for phase equilibrium data was started by J. Gmehling and U. Onken at the University of Dortmund.

While at the beginning mainly VLE data for non-electrolyte mixtures (T_b > 0 °C) were considered, later on also VLE including compounds with T_b<0°C, LLE, h^E, g^∞, azeotropic, c_P^E, SLE, V^E, adsorption equilibrium, polymer data, ... for non-electrolyte and electrolyte systems as well as pure component properties were stored. The DDB currently contains more than 3.8 million data points for 32,000 components from more than 64,000 references. The data bank can be searched online for free.

The Dortmund Data Bank (DDB) now contains nearly all worldwide available phase equilibrium data, excess properties and pure component properties even for polymer systems. The current status (Version 2009) is given below.

Besides the easily accessible thermo-physical properties from scientific literature (J. Chem. Eng. Data, J. Chem. Thermodyn., Fluid Phase Equilib., Thermochim. Acta, and Int. J. Thermophys.) DDB contains a great part of data not available via the open literature (systematic measurements for the development of predictive tools, private communications, confidential data from industry, BSc., MSc and PhD theses, … from all over the world).

These data will not be provided by online-services and are not made available to competitors of DDBST GmbH.

The regular yearly update of the DDB can be judged from the figure below. DDB grows by nearly 8% per year in data volume. Nearly all data input is done at DDBST GmbH in Oldenburg by long term employees with many years of experience with support from colleagues in China, Japan, Korea, Russia, ….

Dortmund Data Bank Software Package (DDBSP)

The DDB is available under several different software platforms. DDBST GmbH offers various inhouse versions together with an integrated software system for data retrieval, storage, correlation, visualization and property estimation. It also contains highly developed process synthesis tools for the selection of entrainers for extractive and azeotropic distillation, extraction, …

DDBSP interfaces to the Aspen Plus^®, EPCON^® and ProSim^® process simulators for parameter and data interchange. In addition, Aspen Plus^® and ProII^® property packages can be accessed from within DDBSP in order to verify physical property parameters prior to process simulation.

A free Explorer Edition lets you check the availability of data in the Dortmund Data Bank and try out a large variety of DDBSP software.

Academic Versions

Special low license fees are available for the use of DDB in research. This does include a 50% rebate for complete data banks, subsets, and single data sets. Additionally DDBST distributes an educational version for universities and similar institutions. This educational version contains a subset of the Dortmund Data Bank and a lot of software tools for data retrieval, plotting, prediction, and fitting.

Basic Data

Since the early times of DDB (1973), recommended pure component values like critical data, relative Van der Waals surfaces and volumes, molar liquid volumes and equation parameters for e.g. the Antoine equation have been compiled for the use in all types of calculations, mixture data regression, ... These values and parameters therefore are mostly very reliable. more...

PURE - Pure Component Properties

Started in 1991, this data bank is now the largest in the DDB. PURE contains a wide variety of different thermophysical data including PVT-data, phase equilibrium data like vapor pressures and enthalpies of vaporization, transport properties like thermal conductivity, viscosity and surface tension as well as thermodynamic data (enthalpies of formation, ...) and heat capacities. more...

VLE - Vapor Liquid Equilibria of Normal Boiling Substances

The VLE data file is the oldest and one of the largest data collections in the DDB. It contains different types of complete (x,y,P,T) or incomplete data for components with a normal boiling point above 0°C..... more...

HPV - Vapor Liquid Equilibria of Low Boiling Substances

The HPV data file is only slightly smaller than VLE. It contains different types of complete (x,y,P,T) or incomplete data for components with a normal boiling point below 0°C...... more...

ELE - Vapor-Liquid Equilibria of Electrolyte Systems

The ELE data bank contains data for vapor-liquid equilibria of mixtures containing electrolytes as well as osmotic coefficients for the calculation of mean ionic activity coefficients of the electrolyte species. It's primary focus is to supply data on the effect of electrolyte components on the separation factor of the volatile solvents and the total pressure or boiling point of an electrolyte solution. more...

LLE – Liquid-Liquid Equilibria for Non-Electrolyte Mixtures

The LLE data bank contains a large amount of liquid-liquid equilibrium data and liquid solubility data for binary and higher systems. It is of great importance for extraction (distribution of a component between two liquid phases in equilibrium) and in case of other unit operations involving immiscible systems..... more...

ACT – Activity Coefficients at Infinite Dilution

Activity coefficients at infinite dilution (ACT) are available for a very large number of binary mixtures and are of great importance if high purities need to be achieved as the real behavior of liquid mixtures can usually not be extrapolated from VLE or HPV data with sufficient reliability.... more...

ACM - Activity Coefficients at Infinite Dilution in Non-Electrolyte Mixtures

These data allow to judge the effect of a further component on the behavior of a trace component. In addition, they supply valuable information on the effects of modulators on the selectivity of an entrainer (e.g. NMP, sulfolane, … with varying amounts of water to tune selectivity and capacity of the extractive solvent).... more...

GLE – Gas Solubilities in Non-Electrolyte Mixtures

Whenever data are reported in form of Henry, Bunsen, Kuehnen or similar coefficients, they are stored in the GLE data bank. This means that access to GLE adds valuable information mostly at low concentrations of the low boiling component.... more...

EGLE - Gas Solubilities in Electrolyte Mixtures

Like other phase equilibria, gas solubilities are strongly affected by electrolyte components in the liquid phase, While in case of physical solutions the Henry coefficient is usually increased (salting out effect), chemical (mostly acid/base) reactions between the gas and dissolved electrolytes can increase the solubility by orders of magnitude..... more...

CRI - Critical Data of Mixtures

The critical behavior of mixtures as function of temperature provides very important information for the test of EOS and their mixing rules. Besides that, the correct prediction of the critical locus is critical for the design of many chemical processes. more...

SLE - Solid-Liquid Equilibria

Solid-liquid equilibria (solid solubilities) are of great importance not only for crystallization processes but also for the selection of solvents for reaction mixtures and for plant safety assessment. In addition, these data provide information about the real mixture behavior at low temperatures, where the fugacity of a component cannot be easily determined via the fugacity or partial pressure over the solution. more...

ESLE - Salt Solubilities

The ESLE data bank contains large amounts of electrolyte (salt) solubilities in water and organic solvents. These data are of great importance for the correct modelling of processes with electrolytes in the process streams. more...

AZD – Azeotropic and Zeotropic Data in Non-Electrolyte Mixtures

The AZD data bank contains experimental azeotropic and zeotropic information for a very large number of binary and multicomponent mixtures. This information is of foremost importance for the design of thermal separation processes including the liquid and vapor phase... more...

KI - Liquid-Liquid Partition Coefficients

The DDB-KI data bank was originally started for the storage of octanol-water partition coefficients (KOW). Based on these data, a special KOW-UNIFAC had been developed.... more...

ADS - Vapor Adsorption Equilibria

Adsorption of components from gaseous mixtures plays an important role in chemical engineering and environmental protection. The especially strong forces between a molecule in the vapor phase and adsorption sites on the adsorbent allow to separate components from gaseous streams .... more...

POLY - Polymer Data

The polymer data bank (short DDB-POLY) has been started in 2003 as an extension of the Dortmund Data Bank, to include also polymer related data. In case of this data bank the design of the data structure turned out to be rather complex due to the various data types and different ways of polymer characterization.... more...

VIS - Mixture Viscosities

The data bank for dynamic and kinematic viscosities of mixtures (short DDB-VIS) is first available in Version 2010 of the Dortmund Data Bank and contains nearly 40,000 experimental data points.... more...

HE – Excess Enthalpies in Non-Electrolyte Mixtures

The HE data bank contains excess enthalpy data for a large number of binary and multicomponent mixtures. While the effect of h^E on the enthalpy balance of unit operations is usually small, these data allow the precise description of the temperature dependence of the real liquid mixture behavior (g^E and activity coefficients).... more...

CPE - Excess Heat Capacities, Mixture C_P

DDB-CPE is of great use for the regression of temperature dependent model parameters for g^E-models and equations of state as it supplies reliable information about the temperature dependence of the excess enthalpy.... more...

VE - Excess Volumes, Mixture Densities

Excess volumes represent the deviation from ideal mixing volume and are crucial for describing the effect of pressure on the real behavior (activity coefficients and fugacity coefficients).... more...

Sigma-Profiles for COSMO-RS Type Models

For the use with COSMO-RS type models like e.g. COSMO-RS, COSMO-SAC and COSMO-RS(Ol), a large data bank with the required sigma profiles (December 2009: 2841 components) has been prepared. Currently 600 to 800 new profiles are added each year. As the quantumchemical calculations become very demanding for large molecules, group contribution methods have been developed to predict sigma profiles. These complimentary methods are delivered with DDBSP-Artist and lead to reliable results for not too complex or multifunctional structures.

Sigma profiles from DDB-Sigma can be used within the DDBSP software (DDBSP Mixture Predict Add-On) and in most third party software (in COSMOTherm^® a specially optimized parametrization for these profiles is available).... more...