We use molecular dynamics simulations to study the static properties of asingle linear multiblock copolymer chain under poor solvent conditions varyingthe block length $N$, the number of blocks $n$, and the solvent quality byvariation of the temperature $T$. We study the most symmetrical case, where thenumber of blocks of monomers of type A, $n_{A}$, equals that of monomers B,$n_{B}$ ($n_{A}=n_{B}=n/2$), the length of all blocks is the same irrespectiveof their type, and potential parameters are also chosen symmetrically, as for astandard Lennard-Jones fluid. Under poor solvent conditions the chains collapseand blocks with monomers of the same type form clusters, which are phaseseparated from the clusters with monomers of the other type. We study thedependence of the size of the formed clusters on $n$, $N$ and $T$. Furthermore,we discuss our results with respect to recent simulation data on the phasebehaviour of such macromolecules, providing a complete picture for the clusterformations in single multiblock copolymer chains under poor solvent conditions.
展开▼
机译：我们使用分子动力学模拟来研究不良溶剂条件下单线性多嵌段共聚物链的静态性质，该条件是通过改变温度$ T $改变嵌段长度$ N $，嵌段数量$ n $和溶剂质量。我们研究了最对称的情况，其中类型A的单体的嵌段数$ n_ {A} $等于单体B的嵌段数$ n_ {B} $（$ n_ {A} = n_ {B} = n / 2 $），所有块的长度是相同的，而与它们的类型无关，并且电位参数也像标准Lennard-Jones流体那样对称选择。在不良的溶剂条件下，链塌陷并与相同类型的单体形成嵌段，形成簇，这些簇与具有另一种类型的单体的簇相分离。我们研究了形成的簇的大小对$ n $，$ N $和$ T $的依赖性。此外，我们讨论了有关这种大分子相行为的最新模拟数据的结果，为不良溶剂条件下单个多嵌段共聚物链中的簇形成提供了完整的图像。
展开▼
