Computational Studies, Nanotechnology, and Solution by W. Alexander Van Hook (auth.), M. D. Dadmun, W. Alexander

By W. Alexander Van Hook (auth.), M. D. Dadmun, W. Alexander Van Hook, Donald W. Noid, Yuri B. Melnichenko, Bobby G. Sumpter (eds.)

This textual content is the broadcast model of many ofthe talks awarded at symposiums held as a part of the Southeast nearby assembly of the yank Chemical Society (SERMACS) in Knoxville, TN in October, 1999. The Symposiums, entitled resolution Thermodynamics of Polymers and Computational Polymer technological know-how and Nanotechnology, supplied shops to give and speak about difficulties of present curiosity to polymer scientists. It used to be, therefore, made up our minds to post either complaints in one quantity. the 1st a part of this assortment comprises published types of six of the 10 talks provided on the Symposium on answer Thermodynamics of Polymers geared up via Yuri B. Melnichenko and W. Alexander Van Hook. the 2 classes, additional defined lower than, prompted fascinating and provocative discussions. even if no longer each writer selected to give a contribution to the lawsuits quantity, the papers which are integrated faithfully characterize the scope and caliber of the symposium. the remainder sections are in accordance with the symposium on Computational Polymer technological know-how and Nanotechnology equipped by means of Mark D. Dadmun, Bobby G. Sumpter, and Don W. Noid. a various and extraordinary crew of polymer and fabrics scientists, biochemists, chemists and physicists met to debate fresh learn within the huge box of computational polymer technological know-how and nanotechnology. The two-day oral consultation used to be additionally complemented by way of a couple of poster shows. the 1st article of this part is at the very important topic of polymer blends. M. D.

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Extra resources for Computational Studies, Nanotechnology, and Solution Thermodynamics of Polymer Systems

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Weakly bonded liquids such as the perfluoro alkanes exhibited values of n greater than 1. 3 The assumption that the internal pressure is equal to the CED is subject to substantial errors depending on the chemical structure of the molecules making up the liquid. Many equation of state theories make the assumption that the 3 is equal to the CED. 9 Therefore, when one uses PVT data to define the parameters in these models one is using the internal pressure as a measure of the CED of that liquid. Any quantity computed in this manner will be subject to the error mentioned in the previous paragraph.

11 By scaling the surface tension data with an appropriate measure of the CED of the liquid, we should be able to collapse the data for many different polymers onto a single master curve. Implicit in this assumption is the fact that the CED and the density of the liquid are the dominant factors contributing to the surface tension. We can scale the surface tension using 3 computed from the PVT data and the measured density. Patterson and Rastogi12 were the first to do this for polymer liquids. Clearly, any quantity derived from this information set J vsp, DE7P) can be used to scale the data, where vsp is the specific volume, D is the thermal expansivity, E is the isothermal compressibility, T is the temperature , and P is the pressure.

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