Processing/structure/properties performance correlations

Processing/Structure/Properties/Performance correlations and summary concept maps for four materials (steels, glass-ceramics, polymer fibers, and silicon semiconductors), which integrate important concepts from chapter to chapter... 

MW and MWD are very significant parameters in determining the end use performance of polymers. However, difficulty arises in ascertaining the structural properties relationship, especially for the crystalline polymers, due to the interdependent variables, i.e., crystallinity, orientation, crystal structure, processing conditions, etc., which are influenced by MW and MWD of the material. The presence of chain branches and their distribution in PE cause further complications in establishing this correlation. 

This paper presents a study on selected particulate and monolithic silicas with a high porosity designed for preparative liquid phase separation processes. The aim is to elucidate the decisive pore structural properties of the bulk materials and to correlate these data with those obtained at column operation, i.e. column pressure drop and column performance. 

Carbon distribution and ring content data are used in characterization of oils in the refin-ing/manufacturing process and can also correlate to critical performance properties (ASTM D3238 Calculation of Carbon Distribution and Structural Group Analysis of Petroleum Oils by the n-d-M Method). Aromatic carbon concentration in weight percent characterizes properties and toxicity of plasticizers obtained from petroleum products. 

The SPARC (Sparc Performs Automated Reasoning in Chemistry) approach was introduced in the 1990s by Karickhoff, Carreira, Hilal and their colleagues [16-18]. This method uses LSER [19] to estimate perturbed molecular orbitals [20] to describe quantum effects such as charge distribuhon and delocalizahon, and polarizability of molecules followed by quanhtative structure-activity relationship (QSAR) studies to correlate structure with molecular properties. SPARC describes Gibbs energy of a given process (e.g. solvation in water) as a sum of ... 

It has been shown (, , 2.) that a membrane casting dope is a strongly structurlzed polymer solution, and that the morphology of the membrane surface layer can be correlated to the structure of the casting solution. The latter parameter affects the nature and details of the phase inversion process occuring in the upper part of the cast solution, in an incipient skin. Thus the solution structure is one of the factors responsible for the skin properties, and consequently for the performance of the ultimately formed asymmetric membrane. 

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