Published January 1, 2009
| Version v1
Conference paper
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NEW NUMERICAL TECHNIQUES APPLIED TO MEMBRANE AND MEMBRANE REACTORS - ASPECTS OF QUANTUM MECHANICS
Creators
- 1. Italian Natl Res Council, Inst Membrane Technol, I-87030 Arcavacata Di Rende, CS, Italy
- 2. Energy Inst, Tubitak Marmara Res Ctr, TR-41470 Gebze, Turkey
Description
In this chapter the QM application will be discussed as the new edge of computer techniques applied to membrane reactors. QM is a really powerful tool which acts as a bridge between microscopic scales and the macroscopic world of the laboratory: it call provide a guess for the interactions between molecules and membranes, and obtain predictions of bulk properties as exact as the Computational budget can allow.
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