Pure Component Property Estimation: Models & Databases

Author(s):  
Jorge Marrero ◽  
Rafiqul Gani
2009 ◽  
Vol 81 (10) ◽  
pp. 1745-1768 ◽  
Author(s):  
Jürgen Rarey ◽  
Jürgen Gmehling

Factual data banks nowadays play an important role as a source for thermophysical property data for use in chemical process simulation, environmental models, and many other computer-based applications. In this work, the historical developments leading to modern factual data banks, the differences compared to other more bibliographically oriented data banks, and their most important applications and future potential will be discussed by using the example of the Dortmund Data Bank (DDB). As the development of the different predictive models for mixtures is covered in a separate publication, this paper focuses on pure-component property estimation, regression of model parameters, test and verification of model parameters prior to process simulation, and advanced topics in process synthesis such as selection of entrainers and data-mining applications.


Author(s):  
Charlotte L. Ownby ◽  
David Cameron ◽  
Anthony T. Tu

In the United States the major health problem resulting from snakebite poisoning is local tissue damage, i.e. hemorrhage and myonecrosis. Since commercial antivenin does not usually prevent such damage to tissue, a more effective treatment of snakebite-induced myonecrosis is needed. To aid in the development of such a treatment the pathogenesis of myonecrosis induced by a pure component of rattlesnake venom was studied at the electron microscopic level.The pure component, a small (4,300 mol. wt.), basic (isoelectric point of 9.6) protein, was isolated from crude prairie rattlesnake (Crotalus viridis viridis) venom by gel filtration (Sephadex G-50) followed by cation exchange chromatography (Sephadex C-25), and shown to be pure by electrophoresis. Selection of the myotoxic component was based on light microscopic observations of injected mouse muscle.


Author(s):  
Douglas L. Dorset

A variety of linear chain materials exist as polydisperse systems which are difficultly purified. The stability of continuous binary solid solutions assume that the Gibbs free energy of the solution is lower than that of either crystal component, a condition which includes such factors as relative molecular sizes and shapes and perhaps the symmetry of the pure component crystal structures.Although extensive studies of n-alkane miscibility have been carried out via powder X-ray diffraction of bulk samples we have begun to examine binary systems as single crystals, taking advantage of the well-known enhanced scattering cross section of matter for electrons and also the favorable projection of a paraffin crystal structure posited by epitaxial crystallization of such samples on organic substrates such as benzoic acid.


2015 ◽  
Vol 18 (10) ◽  
pp. 985-996 ◽  
Author(s):  
D. C. Moreira ◽  
M.C. de O. Telles ◽  
L. C. S. Nunes ◽  
Leandro A. Sphaier

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