Maurer model

The particular difficulty in the Maurer model is that the species created in these reactions do not exist in pure form. Therefore, their vapor pressures and their binary parameters with other components cannot be determined in the usual way. Moreover, methylene glycols and hemiformals can exist simultaneously only in ternary and higher mixtures of water (W), formaldehyde (FA), and methanol (MeOH). 

Table 13.1 Main groups of the Maurer model with their volume and surface area parameters [6].

Table 13.2 Group interaction parameters a (K) for the UNIFAC approach in the Maurer model [6].

The final parameter sets used in the Maurer model are given in Tables 13.2-13.4. For practical applications, the resulting distribution of the particular methylene glycols and hemiformals is not interesting for the mass balance. It has to be transformed into overall concentrations of formaldehyde, methanol, and water. This is done by applying the formal reactions ... 

Figures 13.1 and 13.2 give a qualitative overview on the reactive systems formaldehyde-water and formaldehyde-methanol by applying the Maurer model.

Reaction kinetics In most chemical processes, chemical reactions do not reach the chemical equilibrium. Instead, reaction kinetics are decisive for the yield, the chemical equilibrium calculations are mainly used to determine the maximum yield. Also for the design of reactive distillation processes and chemical absorption processes, the reaction kinetics must be known. As well, the Maurer model for formaldehyde (see Section 13.1) must be regarded as a reactive distillation and especially at low temperatures, the equilibrium is by far not reached. 

Surface and size parameters are either available in the literature or are calculated following the proposals by Bondi [118]. The degree of counterimi dissociation in infinite dilution is estimated from experimental data for the limiting osmotic coefficient of an aqueous solution of the polyion. Following the ideas outlined in the description of the Pessoa and Maurer model above, one finds when the repeating unit is a 1 1 electrolyte ... 

Giesbrecht, H., K. Hess, W. Leuckel, and B. Maurer, 1981. Analysis of explosion hazards on spontaneous release of inflammable gases into the atmosphere. Part 1 Propagation and deflagration of vapor clouds on the basis of bursting tests on model vessels. Ger. Chem. Eng. 4 305-314. 

Maurer, B., K. Hess, H. Giesbrecht, and W. Leuckel. 1977. Modeling vapor cloud dispersion and deflagration after bursting of tanks filled with liquefied gas. Second Int. Symp. on Loss Prevention and Safety Promotion in the Process Irui., pp. 305-321. Heidelberg. 

G. Kuranov, B. Rumpf, G. Maurer, et ah, VLE modelling for aqueous systems containing methyldie-thanolamine, carbon dioxide and hydrogen sulfide, Fluid Phase Equil., 1997, 136,147-162. 

Driscoll, K.E., Maurer, J.K., Poynter, J., Higgins, J., Asquith, T. and Miller, N.S. (1992). Stimulation of rat alveolar macrophage fibronectin release in a cadmium chloride model of lung injury and fibrosis. Toxicol. Appl. Pharmacol. 116, 30-37. 

L. Guidoni, P. Maurer, S. Piana, and U. Rothlisberger (2002) Hybrid Car-Parrinello/Molecular Mechanics Modelling of Transition Metal Complexes Structure, Dynamics and Reactivity. Quant. Struct.-Act. Pel. 21, p. 119... 

Maurer (1990) discusses the use of an interlayer model to describe the physical properties of filled composite systems. 

D. Grossmann, H. Hass, H. Hein, A. Hoffmann, L. Hoppe, F. Hulsemann, D. Kley, B. Klotz, H. G. Libuda, T. Maurer, D. Miheleie, G. K. Moortgat, R. Olariu, P. Neeb, D. Poppe, L. Ruppert, C.G. Sauer, O. Shestakov, H. Somnitz, W. R. Stoekwell, L.P. Thuner, A. Wahner, P. Wiesen, F. Zabel, R. Zellner and C. Zetzseh Chemieal Meehanism Development laboratory studies and model applications, J. Atmos. Chem. 42 (2002) 323-357. 

Smith, D.K., Treutlein, H.R., Maurer, T., Owczarek, C.M., Layton, M.J., Nicola, N.A. and Norton, R.S. (1994) Homology modelling and IHNMR studies of human leukaemia inhibitory factor. FEBS Lett. 350 275-280. 

Kubiak R., Maurer T. and Eichhom K.W. (1993) A new laboratory model for studying the volatilization of pesticides under controlled conditions. Science Total Environ., 132, 115-123. 

A visitor to the discovery labs of any pharmaceuticals company will note the importance attached to biology and biochemistry. Richard Maurer and Chris Reynolds show us how seriously modelling is taken in the world of biology. 

Schuster, D., Maurer, E.M., Laggner, C., Nashev, L.G., Wilckens, T, Langer, T, and Odermatt, A. (2006) The discovery of new 1 Ibeta-hydroxysteroid dehydrogenase type 1 inhibitors by common feature pharmacophore modeling and virtual screening. Journal of Medicinal Chemistry, 49, 3454-3466. 

Papazoglou, E., Simha, R., and Maurer, E. H. J., Thermal expansivity of particulate composites interlayer versus molecular model, Rheol. Acta, 28, 302-308 (1989). 

Gasser, B., Prielhofer, R., Marx, H., Maurer, M. et al (2013) Pichia pastoris protein production host and model organism for biomedical research. Future Microbiol, 8, 191-208. 

Gasser, B., Maurer, M. et al. (2010) Genome-scale metabolic model of methylotrophic yeast Pichia pastoris and its use for in silico analysis of heterologous protein production. Biotechnol. J., 5, 705-715. 

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