The Dortmund Data Bank (short DDB) is a factual data bank for

thermodynamic Thermodynamics is a branch of physics that deals with heat, work, and temperature, and their relation to energy, entropy, and the physical properties of matter and radiation. The behavior of these quantities is governed by the four laws of ...

and thermophysical data. Its main usage is the data supply for

process simulation Process simulation is used for the design, development, analysis, and optimization of technical processes such as: chemical plants, chemical processes, environmental systems, power stations, complex manufacturing operations, biological processes, ...

where experimental data are the basis for the design, analysis, synthesis, and optimization of chemical processes. The DDB is used for fitting parameters for thermodynamic models like NRTL or UNIQUAC and for many different equations describing pure component properties, e.g., the

Antoine equation The Antoine equation is a class of semi-empirical correlations describing the relation between vapor pressure and temperature for pure substances. The Antoine equation is derived from the Clausius–Clapeyron relation. The equation was presented ...

for vapor pressures. The DDB is also used for the development and revision of predictive methods like UNIFAC and

PSRK PSRK (short for Predictive Soave–Redlich–Kwong) is an estimation method for the calculation of phase equilibria of mixtures of chemical components. The original goal for the development of this method was to enable the estimation of properties o ...

Mixture properties

* Phase equilibria data ( vapor–liquid, liquid–liquid, solid–liquid), data on azeotropy and zeotropy * Mixing enthalpies * Gas solubilities *

Activity coefficient In thermodynamics, an activity coefficient is a factor used to account for deviation of a mixture of chemical substances from ideal behaviour. In an ideal mixture, the microscopic interactions between each pair of chemical species are the same ...

s at infinite dilution * Heat capacities and excess heat capacities * Volumes,

densities Density (volumetric mass density or specific mass) is the substance's mass per unit of volume. The symbol most often used for density is ''ρ'' (the lower case Greek letter rho), although the Latin letter ''D'' can also be used. Mathematicall ...

, and excess volumes (volume effect of mixing) *

Salt Salt is a mineral composed primarily of sodium chloride (NaCl), a chemical compound belonging to the larger class of salts; salt in the form of a natural crystalline mineral is known as rock salt or halite. Salt is present in vast quant ...

solubilities * Octanol-water partition coefficients * Critical data The mixture data banks contain () approx. 308,000 data sets with 2,157,000 data points for 10,750 components building 84,870 different binary, ternary, and higher systems/combinations.

Pure component properties

* Saturated

vapor pressure Vapor pressure (or vapour pressure in English-speaking countries other than the US; see spelling differences) or equilibrium vapor pressure is defined as the pressure exerted by a vapor in thermodynamic equilibrium with its condensed pha ...

s * Saturated densities *

Viscosities The viscosity of a fluid is a measure of its drag (physics), resistance to deformation at a given rate. For liquids, it corresponds to the informal concept of "thickness": for example, syrup has a higher viscosity than water. Viscosity quant ...

* Thermal conductivities * Critical data ( T_c, P_c, V_c) *

Triple point In thermodynamics, the triple point of a substance is the temperature and pressure at which the three phases (gas, liquid, and solid) of that substance coexist in thermodynamic equilibrium.. It is that temperature and pressure at which the ...

s *

Melting point The melting point (or, rarely, liquefaction point) of a substance is the temperature at which it changes state from solid to liquid. At the melting point the solid and liquid phase exist in equilibrium. The melting point of a substance depen ...

s * Heat capacities * Heats of fusion, sublimation and vaporization * Heats of

formation Formation may refer to: Linguistics * Back-formation, the process of creating a new lexeme by removing or affixes * Word formation, the creation of a new word by adding affixes Mathematics and science * Cave formation or speleothem, a secondar ...

and

combustion Combustion, or burning, is a high-temperature exothermic redox chemical reaction between a fuel (the reductant) and an oxidant, usually atmospheric oxygen, that produces oxidized, often gaseous products, in a mixture termed as smoke. Combus ...

* Heats and temperatures of transitions for solids *

Speed of sound The speed of sound is the distance travelled per unit of time by a sound wave as it propagates through an elastic medium. At , the speed of sound in air is about , or one kilometre in or one mile in . It depends strongly on temperature as we ...

* P-v-T data including virial coefficients * Energy functions * Enthalpies and entropies *

Surface tension Surface tension is the tendency of liquid surfaces at rest to shrink into the minimum surface area possible. Surface tension is what allows objects with a higher density than water such as razor blades and insects (e.g. water striders) t ...

s The pure component properties data bank contains ({{As of, 2007, April, lc=y) approx. 157,000 data sets with 1,080,000 data points for 16,700 different components. Image:SFT-benzene.png,

benzene Benzene is an organic chemical compound with the molecular formula C6H6. The benzene molecule is composed of six carbon atoms joined in a planar ring with one hydrogen atom attached to each. Because it contains only carbon and hydrogen atoms ...

File:Dynamic Viscosity of Water.png, Dynamic

viscosity The viscosity of a fluid is a measure of its resistance to deformation at a given rate. For liquids, it corresponds to the informal concept of "thickness": for example, syrup has a higher viscosity than water. Viscosity quantifies the int ...

of water File:Verdampfungsenthalpie Wasser+Methanol+Benzol+Aceton.png,

Heat of vaporization The enthalpy of vaporization (symbol ), also known as the (latent) heat of vaporization or heat of evaporation, is the amount of energy (enthalpy) that must be added to a liquid substance to transform a quantity of that substance into a gas. T ...

of water,

methanol Methanol (also called methyl alcohol and wood spirit, amongst other names) is an organic chemical and the simplest aliphatic alcohol, with the formula C H3 O H (a methyl group linked to a hydroxyl group, often abbreviated as MeOH). It is ...

, benzene, and

acetone Acetone (2-propanone or dimethyl ketone), is an organic compound with the formula . It is the simplest and smallest ketone (). It is a colorless, highly volatile and flammable liquid with a characteristic pungent odour. Acetone is miscibl ...

Data sources

The DDB is a collection of experimental data published by the original authors. All data are referenced and a quite large literature data bank is part of the DDB, currently containing more than 92,000 articles, books, private communications, deposited documents from Russia (

VINITI VINITI (russian: ВИНИТИ; All-Russian Institute for Scientific and Technical Information; russian: Всероссийский институт научной и технической информации former All-Union Institute for Scient ...

), the

Ukraine Ukraine ( uk, Україна, Ukraïna, ) is a country in Eastern Europe. It is the second-largest European country after Russia, which it borders to the east and northeast. Ukraine covers approximately . Prior to the ongoing Russian inva ...

( Ukrniiti) and other former

USSR The Soviet Union,. officially the Union of Soviet Socialist Republics. (USSR),. was a transcontinental country that spanned much of Eurasia from 1922 to 1991. A flagship communist state, it was nominally a federal union of fifteen nati ...

states, company reports (mainly from former GDR companies), theses, patents, and conference contributions. Secondary sources like data collections are normally neglected and only used as a literature source. Derived data are also not collected with the main exception of the azeotropic data bank which is built partly from evaluated vapor–liquid equilibrium data.

History

The Dortmund Data Bank was founded in the 1970s at the University of Dortmund in Germany. The original reason for starting a vapor–liquid phase equilibria data collection was the developmentGmehling J., Weidlich U., "Die Dortmunder Datenbank. Basis für die Weiterentwicklung der UNIFAC-Methode", Chem.Ing.Tech., 57(5), 447-449, 1985 of the

group contribution method A group-contribution method in chemistry is a technique to estimate and predict thermodynamic and other properties from molecular structures. Introduction In today's chemical processes hundreds of thousands of components are used. The Chemical Ab ...

UNIFAC which allows to estimate vapor pressures of mixtures. The DDB has since been extended to many other properties and has increased dramatically in size also because of intensive (German) government aid. The funding has ended and the further development and maintenance is performed by DDBST GmbH, a company founded by members of the industrial chemistry chair of the

Carl von Ossietzky Carl von Ossietzky (; 3 October 1889 – 4 May 1938) was a German journalist and pacifist. He was the recipient of the 1935 Nobel Peace Prize for his work in exposing the clandestine German re-armament. As editor-in-chief of the magazine ''Die ...

University of Oldenburg, Germany. Additional contributors are the

DECHEMA DECHEMA is an abbreviation for "Deutsche Gesellschaft für chemisches Apparatewesen" (German Society for Chemical Apparatus), though it has since been expanded to "''Deutsche Gesellschaft für Chemische Technik und Biotechnologie''" (German Society ...

, the FIZ CHEMIE (Berlin), the Technical University in

Tallinn Tallinn () is the most populous and capital city of Estonia. Situated on a bay in north Estonia, on the shore of the Gulf of Finland of the Baltic Sea, Tallinn has a population of 437,811 (as of 2022) and administratively lies in the Harju '' ...

, and others.

Availability

The Dortmund Data Bank is distributed by DDBST GmbH as in-house software. Many parts of the Dortmund Data Bank are also distributed as part of the DETHERM data bank which is also available online.

References

External links

DDBST GmbHDECHEMATopological Analysis of the Gibbs Energy Function (Liquid-Liquid Equilibrium Correlation Data). Including a Thermodinamic Review and a Graphical User Interface (GUI) for Surfaces/Tie-lines/Hessian matrix analysis
- University of Alicante Thermodynamics Chemical databases Technical University of Dortmund University of Oldenburg

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