A temperature-concentration (T-X) phase diagram calculated using the mean field theory for liquid crystals

Date

2013-06-01

Author

Yurtseven, Hasan Hamit
KARACALİ, HUSEYİN

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

181
views

0
downloads

Phase-line equations for smectic-hexatic phase transitions in liquid crystals were derived using the Landau phenomenological theory. In particular, second-order transitions for the smectic-A-smectic-C (SmA-SmC) and hexatic-B-hexatic-F (or HexI) transitions were studied and the tricritical points for these transitions were located. The calculated phase-line equations were fitted (using experimental data for various liquid crystals) to construct a generalized T-X phase diagram. It was shown that the T-X phase diagram calculated from the free energy adequately describes the observed behavior of liquid crystals during smectic-hexatic transitions.

Subject Keywords

Physical and Theoretical Chemistry, Inorganic Chemistry, Organic Chemistry, Computational Theory and Mathematics, Catalysis, Computer Science Applications

URI

https://hdl.handle.net/11511/38378

Journal

JOURNAL OF MOLECULAR MODELING

DOI

https://doi.org/10.1007/s00894-013-1777-0

Collections

Department of Physics, Article

Suggestions

OpenMETU
Core

Calculation of the Raman frequencies as a function of pressure in the solid phases II and III (III ') of benzene Yurtseven, Hasan Hamit (Springer Science and Business Media LLC, 2013-06-01) We calculate here the Raman frequencies of the lattice modes A(A (g) ), B(B (2g) ) and C(B (1g) B (3g) ) as a function of pressure at room temperature for the solid phases (II, III and III') of benzene. This calculation is performed using volume data through the mode Gruneisen parameter. It is found that our calculated frequencies of those lattice modes increase with increasing pressure, as expected. Calculated frequencies are in good agreement with the measurements of the three lattice modes for the solid ...
A new and efficient chemoenzymatic route to both enantiomers of alpha '-acetoxy-alpha-methyl and gamma-hydroxy-alpha-methyl cyclic enones Demir, Ayhan Sıtkı; Findik, H; Kose, E (Elsevier BV, 2004-03-08) A chemoenzymatic synthesis of both enantiomers of the pharmacologically interesting alpha'-acetoxy-alpha-methyl and gamma-hydroxy-alpha-methyl cyclic enones starting from alpha-methyl-beta-methoxy cyclic enones is reported. Manganese(Ill) acetate-mediated acetoxylation followed by the enzyme-mediated hydrolysis of alpha'-acetoxy enone provides acetoxy enones 1a and 2a and hydroxy enones 1b and 2b with high enantiomeric excesses in good yields. The reduction of the acetoxy and hydroxy enones furnished both e...
A new and efficient chemoenzymatic route to both enantiomers of alpha '-acetoxy and alpha '-hydroxy-alpha-methoxy cyclic enones Demir, Ayhan Sıtkı; Caliskan, Z; Aydin, AE; Bicer, I (Elsevier BV, 2006-03-06) A chemoenzymatic synthesis of both enantiomers of the pharmacologically interesting alpha'-acetoxy and alpha'-hydroxy-alpha-methoxy cyclic enones starting from alpha-hydroxy cyclic enones is described. Protection of 1,2-diketones, manganese(III) acetate-mediated acetoxylation followed by enzyme-mediated hydrolysis of alpha'-acetoxy enones gives acetoxy enones 3a-d and hydroxy enones 4a-d with high enantiomeric excesses (up to 99%) and good yields. The transesterification of rac-4b in the presence of DMAP af...
An asymmetric synthesis of both enantiomers of 2,2,2-trifluoro-1-furan-2-yl-ethylamine and 3,3,3-trifluoroalanine from 2,2,2-trifluoro-1-furan-2-yl-ethanone Demir, Ayhan Sıtkı; Sesenoglu, O; Gercek-Arkin, Z (Elsevier BV, 2001-09-13) The selective conversion of 2,2,2-trifluoro-1-furan-2-yl-ethanone into (E)- and (Z)-oximes and oxime ethers and subsequent oxazaborolidine-catalyzed enantioselective reduction using different amino alcohols furnished both enantiomers of the important chiral building block 2,2,2-trifluoro-1-furan-2-yl-ethylamine with e.e. of up to 88%. Oxidation of the furan ring afforded both enantiomers of 3,3,3-trifluoroalanine in 91-93% yields.
Temperature dependence of the polarization and the dielectric constant near the paraelectric-ferroelectric transitions in BaTiO3 Yurtseven, Hasan Hamit (Springer Science and Business Media LLC, 2013-09-01) Temperature dependences of the spontaneous polarization and the dielectric constant are calculated near the paraelectric-ferroelectric (cubic-tetragonal) transition in BaTiO3 using our mean field model. By expanding the free energy in terms of the spontaneous polarization (order parameter), expressions for the temperature dependence of the spontaneous polarization and the dielectric constant are derived. By considering the temperature dependence of the Raman frequencies for the lattice mode (310 cm(-1)) whi...

Citation Formats

H. H. Yurtseven and H. KARACALİ, “A temperature-concentration (T-X) phase diagram calculated using the mean field theory for liquid crystals,” JOURNAL OF MOLECULAR MODELING, pp. 2473–2483, 2013, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/38378.