Dortmund Data Bank
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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 the ...
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 Experimental data in science and engineering is data produced by a measurement, test method, experimental design or quasi-experimental design. In clinical research any data produced are the result of a clinical trial. Experimental data may be qua ...
are the basis for the design, analysis, synthesis, and optimization of
chemical process In a scientific sense, a chemical process is a method or means of somehow changing one or more chemicals or chemical compounds. Such a chemical process can occur by itself or be caused by an outside force, and involves a chemical reaction of some ...
es. The DDB is used for fitting parameters for thermodynamic models like NRTL or
UNIQUAC In statistical thermodynamics, UNIQUAC (a portmanteau of universal quasichemical) is an activity coefficient model used in description of phase equilibria. The model is a so-called lattice model and has been derived from a first order approxi ...
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 presente ...
for vapor pressures. The DDB is also used for the development and revision of predictive methods like
UNIFAC In statistical thermodynamics, the UNIFAC method ( UNIQUAC Functional-group Activity Coefficients)Aage Fredenslund, Russell L. Jones and John M. Prausnitz, "Group-Contribution Estimation of Activity Coefficients in Nonideal Liquid Mixtures", '' ...
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 ...
.


Contents


Mixture properties

* Phase equilibria data ( vapor–liquid, liquid–liquid, solid–liquid), data on azeotropy and zeotropy * Mixing enthalpies *
Gas Gas is one of the four fundamental states of matter (the others being solid, liquid, and plasma). A pure gas may be made up of individual atoms (e.g. a noble gas like neon), elemental molecules made from one type of atom (e.g. oxygen), or ...
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 language, Greek letter Rho (letter), rho), although the Latin letter ''D'' ca ...
, 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 quantitie ...
solubilities *
Octanol-water partition coefficient The ''n''-octanol-water partition coefficient, ''K''ow is a partition coefficient for the two-phase system consisting of ''n''-octanol and water. ''K''ow is also frequently referred to by the symbol P, especially in the English literature. It is a ...
s * 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 phas ...
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 ( Tc, Pc, Vc) *
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 subli ...
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 depends ...
s * Heat capacities * Heats of
fusion Fusion, or synthesis, is the process of combining two or more distinct entities into a new whole. Fusion may also refer to: Science and technology Physics *Nuclear fusion, multiple atomic nuclei combining to form one or more different atomic nucl ...
, sublimation and
vaporization Vaporization (or vaporisation) of an element or compound is a phase transition from the liquid phase to vapor. There are two types of vaporization: evaporation and boiling. Evaporation is a surface phenomenon, whereas boiling is a bulk phenomen ...
* 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. Combusti ...
* 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 w ...
* P-v-T data including
virial coefficient Virial coefficients B_i appear as coefficients in the virial expansion of the pressure of a many-particle system in powers of the density, providing systematic corrections to the ideal gas law. They are characteristic of the interaction potential ...
s * 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) to f ...
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,
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) to f ...
of
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 inte ...
of water File:Verdampfungsenthalpie Wasser+Methanol+Benzol+Aceton.png, Heat of vaporization 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 a ...
, 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 miscib ...


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 inv ...
( 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 nationa ...
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 TU Dortmund University (german: Technische Universität Dortmund) is a technical university in Dortmund, North Rhine-Westphalia, Germany with over 35,000 students, and over 6,000 staff including 300 professors, offering around 80 Bachelor's and ...
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
UNIFAC In statistical thermodynamics, the UNIFAC method ( UNIQUAC Functional-group Activity Coefficients)Aage Fredenslund, Russell L. Jones and John M. Prausnitz, "Group-Contribution Estimation of Activity Coefficients in Nonideal Liquid Mixtures", '' ...
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 The Carl von Ossietzky University of Oldenburg (german: Carl von Ossietzky Universität Oldenburg) is a university located in Oldenburg, Germany. It is one of the most important and highly regarded educational facilities in northwestern German ...
, 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 An institute of technology (also referred to as: technological university, technical university, university of technology, technological educational institute, technical college, polytechnic university or just polytechnic) is an institution of te ...
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.


See also

*
Beilstein database The Beilstein database is the largest database in the field of organic chemistry, in which compounds are uniquely identified by their Beilstein Registry Number. The database covers the scientific literature from 1771 to the present and contains ex ...
*
Elektrolytdatenbank Regensburg Elektrolytdatenbank Regensburg (abridged ELDAR) is a compilation of thermodynamic data, bibliography and properties of electrolytes and their solutions. History The gathering of data has begun since 1981. It is a member of DECHEMA DECHEMA is an a ...


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