BROWSE

Related Researcher

Author

Kwak, Sang Kyu
Kyu’s MolSim Lab @ UNIST
Research Interests
  • Molecular modeling and simulation, statistical thermodynamics, molecular physics

ITEM VIEW & DOWNLOAD

Phase Behavior of Ternary Mixtures of Water–Vanillin–Ethanol for Vanillin Extraction via Dissipative Particle Dynamics

Cited 0 times inthomson ciCited 0 times inthomson ci
Title
Phase Behavior of Ternary Mixtures of Water–Vanillin–Ethanol for Vanillin Extraction via Dissipative Particle Dynamics
Author
Son, Ga EunSugartseren, NyambayarYoon, Won-ByongKwak, Sang Kyu
Keywords
COPOLYMER MICROPHASE SEPARATION; ULTRASOUND-ASSISTED EXTRACTION; FORCE-FIELD; MESOSCOPIC SIMULATION; MOLECULAR-DYNAMICS; DIAGRAM; COMPASS
Issue Date
201404
Publisher
AMER CHEMICAL SOC
Citation
JOURNAL OF CHEMICAL AND ENGINEERING DATA, v.59, no.10, pp.3036 - 3040
Abstract
We investigated phase behavior of a mixture solution involved in the vanillin extraction via a coarse-grained simulation method, dissipative particle dynamics (DPD). The ternary mixture, which consists of water, vanillin, and ethanol, is chosen for the study. Four phases depending on different compositions of three species have been formed; micellar, lamellar, transitional, and columnar phases. Ternary phase diagrams have been constructed at 298 K and 333 K. From the diagrams, we identified an optimal range of compositions, which satisfy two important criteria; one is the solubility of vanillin in ethanol and the other is the FDA regulation for the ethanol usage. The ratios of volume percents for the optimal range are 40:20:40 and 50:20:30 for water, vanillin, and ethanol, respectively, and the systems mostly have lamellar phases. Interestingly, those compositions well follow an economic perspective in which there is the least usage of ethanol and the most extraction of vanillin.
URI
Go to Link
DOI
http://dx.doi.org/10.1021/je5001186
ISSN
0021-9568
Appears in Collections:
ECHE_Journal Papers

find_unist can give you direct access to the published full text of this article. (UNISTARs only)

Show full item record

qr_code

  • mendeley

    citeulike

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

MENU