Current works focus on detecting macromolecule crowding effects on the phase separation of the mixture between semi-flexible polymer and crowders (hydrophilic polymers) in confined space by Monte Carlo simulations. With the increasing addition of crowders into the spherical confined space, the semi-flexible polymer was first compressed into a condensed state from the initial coil state, and then the condensed conformation expanded and deposited on the inner surface of the spherical confined space with an extended state. The phase diagram in the phase space of the volume fraction of crowders and the scaled radius of spherical confined space by crowder diameter, and the direct conformation transition of semi-flexible polymer have validated the phase transition process successfully. In addition, the deposition of extended conformation on the inner surface of the spherical confined space was qualified by the vertex density, its curve shifted along the radial direction with the increasing volume fraction of crowder. During the phase separation process, the critical volume fraction φ ∗ relates to the crowder diameter approximately linearly and the relation between the critical volume fraction and the crowder diameter strongly depends on the size of the spherical confined space.

中文翻译：

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球形密闭空间中高分子拥挤对半柔性聚合物相分离的影响

目前的工作重点是通过蒙特卡罗模拟检测大分子拥挤对密闭空间中半柔性聚合物和拥挤聚合物（亲水聚合物）之间的混合物的相分离的影响。随着向球形密闭空间中加入拥挤物的增加，半柔性聚合物首先从最初的卷曲状态压缩成凝聚态，然后凝聚的构象膨胀并沉积在球形密闭空间的内表面上状态。拥挤物体积分数的相空间相图和球形密闭空间的比例半径与拥挤物直径以及半柔性聚合物的直接构象转变成功地验证了相变过程。此外，扩展构象在球形密闭空间内表面的沉积以顶点密度为特征，其曲线随着拥挤物体积分数的增加而沿径向移动。在相分离过程中，临界体积分数 φ ∗ 与拥挤器直径近似线性相关，临界体积分数与拥挤器直径之间的关系强烈依赖于球形密闭空间的大小。