[Bmim][Nf$_2$T]的新型力场及其在水混合物中的可转移性
Novel force field of [Bmim][Nf$_2$T] and its tranferability in a mixture with water
AI总结：
本文为离子液体[Bmim][Nf$_2$T]提出新力场IL/ε，以小于3%的误差重现介电常数、密度和蒸发焓，并验证了其在[Bmim][Nf$_2$T]-H$_2$O混合物中的可转移性。
摘要：
本文为离子液体1-丁基-3-甲基咪唑双(三氟甲基磺酰)亚胺[Bmim][Nf$_2$T]提出了一种新力场。作为εforce field的一部分，缩写IL/ε用于指代该离子液体。该新力场重现了介电常数、密度和蒸发焓，误差小于3%，基于分子的灵活性使得为离子液体生成新力场成为可能。此外，本文还研究了[Bmim][Nf$_2$T]-H$_2$O混合物，涵盖从纯IL到纯水的各种浓度。
英文摘要：
In this work, a new force field is presented for the ionic liquid 1-butyl-3-methylimidazolium-bis(trifluoromethylsulfonyl)imide, [Bmim][Nf$_2$T]. As a part of the εforce field, the acronym IL/εis used to refer to this ionic liquid. This new force field reproduces the dielectric constant, the density, and the entalphy of vaporization, with an error of less than 3%, being posible to generate new force fields for ionic liquids, based on the flexibility of the molecule. In addition, a study of the [Bmim][Nf$_2$T]-H$_2$O mixture is performed from pure IL to pure water, passing through various concentrations.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
