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VTPR
VTPR (short for Volume-Translated Peng–Robinson) 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 of mixtures which contain supercritical components. These class of substances couldn't be predicted with established models like UNIFAC. Principle VTPR is a group contribution equation of state. This is class of prediction methods combine equations of state (mostly cubic) with activity coefficient models based on group contributions like UNIFAC. The activity coefficient model is used to adapt the equation of state parameters for mixtures by a so-called mixing rule. The usage of an equation of state introduces all thermodynamic relations defined for equations of state into the VTPR model. This allows the calculation of densities, enthalpies, heat capacities, and more. Equations VTPR is based on a combination of the Peng–Robinson e ...
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VTPR VLE Prediction Cyclohexane And Carbon Dioxide
VTPR (short for Volume-Translated Peng–Robinson) 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 of mixtures which contain supercritical components. These class of substances couldn't be predicted with established models like UNIFAC. Principle VTPR is a group contribution equation of state. This is class of prediction methods combine equations of state (mostly cubic) with activity coefficient models based on group contributions like UNIFAC. The activity coefficient model is used to adapt the equation of state parameters for mixtures by a so-called mixing rule. The usage of an equation of state introduces all thermodynamic relations defined for equations of state into the VTPR model. This allows the calculation of densities, enthalpies, heat capacities, and more. Equations VTPR is based on a combination of the Peng–Robinson ...
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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 of mixtures containing supercritical components. This class of substances cannot be predicted with established models, for example UNIFAC. Principle PSRK is a group-contribution equation of state. This is a class of prediction methods that combines equations of state (mostly cubic) with activity coefficient models based on group contributions, such as UNIFAC. The activity coefficient model is used to adapt the equation-of-state parameters for mixtures by a so-called mixing rule. The use of an equation of state introduces all thermodynamic relations defined for equations of state into the PRSK model. This allows the calculation of densities, enthalpies, heat capacities, and other properties. Equations As stated previously, the PSR ...
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Electrolyte
An electrolyte is a medium containing ions that is electrically conducting through the movement of those ions, but not conducting electrons. This includes most soluble salts, acids, and bases dissolved in a polar solvent, such as water. Upon dissolving, the substance separates into cations and anions, which disperse uniformly throughout the solvent. Solid-state electrolytes also exist. In medicine and sometimes in chemistry, the term electrolyte refers to the substance that is dissolved. Electrically, such a solution is neutral. If an electric potential is applied to such a solution, the cations of the solution are drawn to the electrode that has an abundance of electrons, while the anions are drawn to the electrode that has a deficit of electrons. The movement of anions and cations in opposite directions within the solution amounts to a current. Some gases, such as hydrogen chloride (HCl), under conditions of high temperature or low pressure can also function as electrolytes ...
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Critical Pressure
In thermodynamics, a critical point (or critical state) is the end point of a phase equilibrium curve. The most prominent example is the liquid–vapor critical point, the end point of the pressure–temperature curve that designates conditions under which a liquid and its vapor can coexist. At higher temperatures, the gas cannot be liquefied by pressure alone. At the critical point, defined by a ''critical temperature'' ''T''c and a ''critical pressure'' ''p''c, phase boundaries vanish. Other examples include the liquid–liquid critical points in mixtures, and the ferromagnet–paramagnet transition (Curie temperature) in the absence of an external magnetic field. Liquid–vapor critical point Overview For simplicity and clarity, the generic notion of ''critical point'' is best introduced by discussing a specific example, the vapor–liquid critical point. This was the first critical point to be discovered, and it is still the best known and most studied one. The figu ...
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Jürgen Gmehling
Jürgen Gmehling (born January 13, 1946 in Duisburg) is a retired German professor of technical and industrial chemistry at the Carl von Ossietzky University of Oldenburg. Biography His career started with an apprenticeship as a laboratory assistant at the Duisburg copper works before he studied chemical engineering at the engineering school in Essen and then chemistry in Dortmund and Clausthal. He received his diploma from the University of Dortmund in 1970 and his PhD (Dr. rer. nat., inorganic chemistry) in 1973. After this he worked as a scientific coworker in Dortmund before he became a private lecturer and, after his habilitation, an assistant professor. Gmehling was appointed a full professor for technical chemistry at the University of Oldenburg in 1989 and retired in 2011. Fields of research Gmehling's main focus is the process development. This includes the development of software for process synthesis and process simulation as well as measurement, collection, a ...
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Dew Point
The dew point is the temperature to which air must be cooled to become saturated with water vapor, assuming constant air pressure and water content. When cooled below the dew point, moisture capacity is reduced and airborne water vapor will condense to form liquid water known as dew. When this occurs via contact with a colder surface, dew will form on that surface. The dew point is affected by humidity. When there is more moisture in the air, the dew point is higher. When the temperature is below the freezing point of water, the dew point is called the frost point, as frost is formed via deposition rather than condensation. In liquids, the analog to the dew point is the cloud point. Humidity If all the other factors influencing humidity remain constant, at ground level the relative humidity rises as the temperature falls; this is because less vapor is needed to saturate the air. In normal conditions, the dew point temperature will not be greater than the air temperature, ...
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Normal Boiling Point
The boiling point of a substance is the temperature at which the vapor pressure of a liquid equals the pressure surrounding the liquid and the liquid changes into a vapor. The boiling point of a liquid varies depending upon the surrounding environmental pressure. A liquid in a partial vacuum has a lower boiling point than when that liquid is at atmospheric pressure. A liquid at low pressure has a lower boiling point than when that liquid is at atmospheric pressure. Because of this, water boils at under standard pressure at sea level, but at at altitude. For a given pressure, different liquids will boil at different temperatures. The normal boiling point (also called the atmospheric boiling point or the atmospheric pressure boiling point) of a liquid is the special case in which the vapor pressure of the liquid equals the defined atmospheric pressure at sea level, one atmosphere. At that temperature, the vapor pressure of the liquid becomes sufficient to overcome atmospheric ...
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Dortmund Data Bank
The Dortmund Data Bank (short DDB) is a factual data bank for thermodynamic and thermophysical data. Its main usage is the data supply for process simulation 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 for vapor pressures. The DDB is also used for the development and revision of predictive methods like UNIFAC and PSRK. Contents Mixture properties * Phase equilibria data ( vapor–liquid, liquid–liquid, solid–liquid), data on azeotropy and zeotropy * Mixing enthalpies * Gas solubilities * Activity coefficients at infinite dilution * Heat capacities and excess heat capacities * Volumes, densities, and excess volumes (volume effect of mixing) * Salt solubilities * Octanol-water partition coefficients * Critical d ...
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Vapor–liquid Equilibrium
In thermodynamics and chemical engineering, the vapor–liquid equilibrium (VLE) describes the distribution of a chemical species between the vapor phase and a liquid phase. The concentration of a vapor in contact with its liquid, especially at equilibrium, is often expressed in terms of vapor pressure, which will be a partial pressure (a part of the total gas pressure) if any other gas(es) are present with the vapor. The equilibrium vapor pressure of a liquid is in general strongly dependent on temperature. At vapor–liquid equilibrium, a liquid with individual components in certain concentrations will have an equilibrium vapor in which the concentrations or partial pressures of the vapor components have certain values depending on all of the liquid component concentrations and the temperature. The converse is also true: if a vapor with components at certain concentrations or partial pressures is in vapor–liquid equilibrium with its liquid, then the component concentrati ...
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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", ''AIChE Journal'', vol. 21 (1975), p. 1086 is a semi-empirical system for the prediction of non-electrolyte activity in non- ideal mixtures. UNIFAC uses the functional groups present on the molecules that make up the liquid mixture to calculate activity coefficients. By using interactions for each of the functional groups present on the molecules, as well as some binary interaction coefficients, the activity of each of the solutions can be calculated. This information can be used to obtain information on liquid equilibria, which is useful in many thermodynamic calculations, such as chemical reactor design, and distillation calculations. The UNIFAC model was first published in 1975 by Fredenslund, Jones and John Prausnitz, a group of chemi ...
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Equation Of State
In physics, chemistry, and thermodynamics, an equation of state is a thermodynamic equation relating state variables, which describe the state of matter under a given set of physical conditions, such as pressure, volume, temperature, or internal energy. Most modern equations of state are formulated in the Helmholtz free energy. Equations of state are useful in describing the properties of pure substances and mixtures in liquids, gases, and solid states as well as the state of matter in the interior of stars. Overview At present, there is no single equation of state that accurately predicts the properties of all substances under all conditions. An example of an equation of state correlates densities of gases and liquids to temperatures and pressures, known as the ideal gas law, which is roughly accurate for weakly polar gases at low pressures and moderate temperatures. This equation becomes increasingly inaccurate at higher pressures and lower temperatures, and fails to pred ...
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