Effect of hydrodynamic interactions on the evolution of chemically reactive ternary mixtures

Journal of Chemical Physics

Volumn 121, Issue 12, 2004, Pages 6052-6063

  Good, Kevin ^a   Kuksenok, Olga ^a   Buxton, Gavin A ^a   Ginzburg, Valeriy V ^b   Balazs, Anna C ^a  

^a University of Pittsburgh   (United States)

^b DOW CHEMICAL COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY FLUIDS; HYDRODYNAMIC INTERACTIONS; TERNARY FLUIDS;

BINARY MIXTURES; HYDRODYNAMICS; INTERFACES (MATERIALS); PHASE SEPARATION; POLYMERIZATION; REACTION KINETICS; SURFACE ACTIVE AGENTS; SURFACE TENSION;

TERNARY SYSTEMS;

EID: 5444228795     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1783872     Document Type: Article

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41. The small negative values in the density of C near the phase boundaries in this plot, as well as in Fig. 2. are unphysical and indicate a limit of accuracy for the model. However, we can apply the same model to the case where A, B, and C are not pure components, but A-rich. B-rich, and C-rich regions, where the negative values of C have a real physical meaning.
42. 2terms in the free energy to zero. In the other words, for the free energy that is rewritten in terms of two order parameters we should choose an appropriate negative value of kφ. Also, in this ease, higher order gradient terms may be needed to describe the A/C (B/C) interface in order for the model to be stable. In addition, for wide regions of C, the equilibrium solution of the kinetic reaction equations (without diffusion) should correspond to the minimum of the free energy in the appropriate region.