Closed-loop LLE calculation by lattice decorationand renormalization transformation = 보조격자와 재규격화에 의한 고리형 액액 상평형 계산

Cited 0 time in webofscience Cited 0 time in scopus
  • Hit : 233
  • Download : 0
A new calculation method for the closed-loop coexistence curves of liquidliquid equilibria, the type VI, was developed in terms of the lattice decoration and the UNIQUAC equation by performing two-step renormalization calculation for the molecular orientational interactions and chain dimensional flexibility. In formulating the calculation model consisting of primary and secondary cells, the orientation effect of ghost molecules in the secondary cells was considered together with the molecular geometric information, and the local composition concept of the UNIQUAC model in the primary cells. Two-step renormalization, evaluating the effective interaction energies of sites in the decorated lattice, was performed to obtain the interaction contribution in the activities of mixtures. Directionalities of the orientational site on molecules were assumed to be proportional to the molecular surface areas. In applications, the temperature - composition diagrams of binary systems were faily reproduced, which are asymmetric and closed in a loop or have lower conslute points, and the multicomponent multiphase equilibria could be qualitatively predicted. In the calculation of the polymeric chain molecule systems, the effects of the chain flexibility and the limited solvation capability of the counter-solvent were lumped into the size estimation of the chain blob, or into the counting of the number of blobs in a chain. In water-PEG systems, a closed-loop diagram was also calculated by correcting the over-estimated size estimation in UNIQUAC on the basis of the blob rescaling concept.
Advisors
Kim, Jong-Duk김종덕
Description
한국과학기술원 : 화학공학과,
Publisher
한국과학기술원
Issue Date
1988
Identifier
61186/325007 / 000835077
Language
eng
Description

학위논문(박사) - 한국과학기술원 : 화학공학과, 1988.8, [ vii, 121 p. ]

URI
http://hdl.handle.net/10203/29194
Link
http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=61186&flag=dissertation
Appears in Collection
CBE-Theses_Ph.D.(박사논문)
Files in This Item
There are no files associated with this item.

qr_code

  • mendeley

    citeulike


rss_1.0 rss_2.0 atom_1.0