Thermophysical data

The DIPPR is a research organization sponsored by the AlChE (American Institute of Chemical Engineers). Its objective is to develop a thermophysical data bank for the components most frequently encountered in the chemical industry. 

Tables of Stored Parameters, from Computer Stored Thermophysical Data System, Management Information Control, Phillips Petroleum Co., BartiesviUe, OHa., 1976.

An extensive compilation of thermophysical data has been published by Plenum Press, Touloukian (1970-77). This multiple-volume work covers conductivity, specific heat,... 

Necessary Kinetic and Thermophysical Data Are Lacking 147 FIGURE 3.22. One Design for Safe Atmospheric Storage of Flammable... 

Klamt, A., Eckert, F., 2000, COSMO-RS a Novel and Efficient method for the a Priori Prediction of Thermophysical Data of Liquids. Fluid Phase Equilibria., 172, 43. 

Since detailed chemical kinetic mechanisms involve the participation of a large number of species in a large number of elementary reactions, sensitivity and reaction path analyses are also essential elements of DCKM. Sensitivity analysis provides a means to assess the limits of confidence we must put on our model predictions in view of uncertainties that exist in reaction rate parameters and thermochemical and thermophysical data utilized, as well as the initial and boundary conditions used in the modeling work. Through... 

Klamt, A. and Eckert, R, COSMO-RS a novel and efficient method for a priori prediction of thermophysical data of liquids, Pluid Phase Equilib., 172, 43, 2000. 

N.B. Vargaftik, Handbook of Thermophysical Data of Gases and Liquids, Nauka, Moscow, 1972. (in Russian)... 

The time that simulation programs spend in the physical property routines has long been a point of con cern. Both Leesley and Heyen (3jU and Barrett and Walsh (39) suggest the use of approximations to the thermodynamic functions during the simulation to save time. Mah (40)reports on the effects that poor thermophysical data can have on a design. 

In Chapter 8, along with tables of measured thermophysical data, we saw some fairly simple techniques for estimating these values when experimental results are not available. Among these techniques were Kopp s Rule for the heat capacity of both liquids and solids, and Trouton s ratio for latent heats of fusion and vaporization, along with Kistiakowski s temperature correction for the latter. 

For the reasons cited, it is prudent to evaluate plastics for Icmg term stresssupporting applications using linear elastic fracture mechanics in conjunction with other rheological and thermophysical data, particularly regarding long time be-hanor, aging phenomena, and failure modes. 

For the thermophysical data of solid and liquid iridium, the following uncertainties should be applied temperatures below 2400 K, 4%, temperatures above 2400 K, 1.7 %, normal spectral emittance, 6%, enthalpy in tfie solid state, 4%, enthalpy in the liquid state, 2.5%, heat of fusion, 8%, isobaric heat capacity, 8%, electrical resistivity at initial geometry solid, 4%, liquid, 3.5%, electrical resistivity including volume expansion solid and liquid, 6%, thermal conductivity, 12%, and finally thermal difliisivity, 16%. 

Such sensitivity analysis is a valuable tool for planning the experimental program for the phase equilibrium measurements, which are often needed to complement the literature data. Another field of application of such sensitivity analysis is the assessment of possible errors in process simulation results due to uncertainties of the thermophysical data. In the case studied here, the sensitivity analysis showed that the two binary systems, where data was missing (acetic add + hexyl acetate and 1-hexanol + hexyl acetate) have an important influence on the process model predictions. 

The statement of Poersch (quoted in Ref. [4]) that it is possible for someone to dry a product based on experience and without theoretical knowledge but not the reverse is worth repeating here. To this we may add the comment that it is impossible to efficiently dry a product without complete and precise thermophysical data. 

It can be seen from Table 2.2 that the predicted Henry s law constants agree well with the high-quality experimental values showing maximum deviations of 20%. The force field used has been constructed by adjustment to experimental data for the pure components. Since thermophysical data published in the literature often shows a high scattering and is frequently not available for the conditions required in process intensification, MD simulations based on high-precision force fields are an alternative to costly and time-consuming measurements. 

Quantum chemical computations are in use for the determination of thermophysical data, arrangement of molecules on solid catalyst surfaces, relative stability of zeolites etc. 

These relations can be used to calculate numerically Jo and Ro from measured data (coo, Ao) and Do which is known from wire s geometric and thermophysical data via equations (5.4-5.6). 

Tab. 5.3. Thermophysical data of polycarbonate (PC) (Goodfellow, UK) and polymethylmethacrylate (PMMA) (Makrolon 2400), [5.7].

Thermodex An Index of Selected Thermodynamic and Physical Property Resources http // www.lib.utexas.edu/thermodex/ (accessedNovember 10,2011). ThermoDex from the Mallet Chemistry Library, University of Texas-Austin is a freely searchable index to printed and Web-based compilations of thermochemical and thermophysical data. The ThermoDex home page also provides a guide to Finding Thermodynamic Information/Where to Start, which lists some of the standard handbooks and proprietary databases that are not indexed as well as those that are indexed. Searches for compounds, or preferably compound types, linked to a specific physical property or properties, display a list of handbooks that may contain data of interest. Actual data values are not displayed. ThermoDex records include the book s title, a brief abstract defining the scope and arrangement, properties and types of compounds, etc. Web datasets include URL links. While based primarily on the holdings of UT-Austin s Mallet Chemistry Library, most of these resources will be available in most university and major industrial libraries. 

ThermoDex An Index of Selected Thermodynamic Data Handbooks http //ww w.lib.utexas. edu/thennodex/ (accessed September 30, 2010). Austin, TX Mallet Chemistry Library, University of Texas at Austin. This database contains records for selected printed and Web-based compilations of thennochemical and thermophysical data. Searching for properties linked to types of compounds will return lists of sources that may contain the data. 

Baibuz, V.F. Trakhtengerts, M.S. (1984). Main conceptions of the IVTAN thermophysical data bank. Dialogovye i informatsionnye sistemy (Dialogue and information systems). Moscow IVTAN, No. 6,49-60. 

Trakhtengerts, M.S. (1986). Banki teplofizicheskikh dannykh (Thermophysical data banks). Obzory po teplofizicheskim svoistvam veshchestv (Reviews on thermophysical properties of substances). Moscow IVTAN, No. 1 (57), 5-44. 

Material Properties and Transport Data for Heat and Mass Transfer 27 Table 2.3 Correlations for thermophysical data at high pressures. 

As a consequence, heat transfer to gases in high-pressure processes is enhanced when the process conditions become pseudocritical. A successful method is to calculate the improved heat transfer when designing a heat transfer apparatus for options of heating and cooling as w is the relation of the thermophysical data at wall and bulk temperature. Polyakov [36] and Krasnoshchekov [37] developed the following equations ... 

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