ISSN 0965-545X, Polymer Science, Ser. A, 2014, Vol. 56, No. 3, pp. 383–392. © Pleiades Publishing, Ltd., 2014.
Original Russian Text © L.V. Zherenkova, P.V. Komarov, 2014, published in Vysokomolekulyarnye Soedineniya. Ser. A, 2014, Vol. 56, No. 3, pp. 346–356.
383
INTRODUCTION
Copolymer macromolecules consisting of units of
various chemical types can form ordered spatial struc-
tures with various morphologies [1]. The self-organiz-
ing ability is determined, on the one hand, by different
characters of interaction between copolymer units
and, on the other hand, by the covalent connection of
units within the same macromolecule. The second
factor hampers separation of the system into homoge-
neous macroscopic phases; under certain conditions,
this circumstance may stabilize one or another type of
microdomain structure. The segregation of block
copolymers accompanied by the formation of micro-
structures of various morphologies has been much
studied in recent decades [1–3]. Structure formation
depends on the composition of the copolymer and the
degree of segregation, χN, where χ is the Flory–Hug-
gins parameter and N is the degree of polymerization.
When a solvent is introduced into a block copoly-
mer, the effective degree of segregation should be esti-
mated to allow for interaction not only between copol-
ymer blocks but also between the blocks and the sol-
vent. An increase in the concentration of the solvent at
a specific temperature entails diverse lyotropic phase
transitions because the effective degree of segregation
corresponds now to other stable structures different
from that of the pure block copolymer. The tempera-
ture dependence of effective interactions between
copolymer blocks leads to an additional number of
thermotropic phase transitions. Both lyotropic and
thermotropic phase behaviors of block copolymers in
selective and nonselective aqueous and organic sol-
vents have been much studied theoretically and exper-
imentally [4–8].
Ionic liquids (ILs) belong to a new class of solvents
composed of ions solely: bulky organic cations and
inorganic or organic anions [9, 10]. In fact, these are
low-temperature melts of organic salts. The supramo-
lecular structure of an IL is characterized by a high
level of self-organization and the presence of a three-
dimensional network composed of anions and cations.
An ionic liquid features amphiphilic behavior because
the cation is composed of polar and nonpolar groups.
The combination of block copolymers with ILs
made it possible to obtain a new class of functional
materials that is characterized by structure formation
on the nanometer level [11]. Functionality is provided
by the unique physicochemical properties of ILs,
whereas structure formation is related to the self-orga-
nization of the block copolymers. A wide spectrum of
technological applications has stimulated theoretical
investigation of the structural features of IL–block-
copolymer systems; the mechanical properties of such
a system may be optimized independently.
Recent experimental studies of the phase behavior
of block-copolymer–IL mixtures [12–22] demon-
strated that, in many respects, it differs from the phase
behavior of block copolymers in organic and aqueous
solvents. Note that, under conditions where an IL is a
selective solvent for a block copolymer, lyotropic and
thermotropic transitions qualitatively correspond in
many respects to the character of the phase behavior of
melts of block copolymers and their mixtures with
organic solvents. For example, small-angle-scattering
data [13, 15] indicate the presence of lamellar, cylin-
drical, and disordered phases. At high concentrations
of a block copolymer, an IL behaves as a salt, thereby
increasing the glass-transition temperature T
g
of the
Study of the Phase Behavior of a Diblock Copolymer in an Ionic
Liquid: Outlook for Use of the Integral-Equation Theory
L. V. Zherenkova
a,
* and P. V. Komarov
b
a
Tver State University, Sadovyi per. 35, Tver, 170002 Russia
b
Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, ul. Vavilova 28, Moscow, 119991 Russia
*e-mail: zherenkova@mail.ru
Received July 31, 2013;
Revised Manuscript Received October 2, 2013
Abstract—It is shown that the integral-equation theory may be used to study the phase behavior of a diblock
copolymer in an ionic liquid with allowance made for the solvent structure. Features of microphase separa-
tion are exemplified via calculation of the mean-field spinodal temperature and order–disorder transition
temperature as functions of the copolymer concentration at two different lengths of the cationic tail of the
ionic liquid. The need to allow for the solvent structure during construction of the theory of the phase behav-
ior of block copolymers in ionic liquids is substantiated.
DOI: 10.1134/S0965545X14030201
THEORY
AND SIMULATION