为了改善传统苯丙乳液在耐水性及长期稳定性等方面的性能瓶颈，本研究引入环氧树脂E-51 与硅烷偶联剂KH-560 对苯丙乳液进行协同改性。 利用环氧树脂E-51、硅烷偶联剂KH-560 与苯丙乳液通过乳液聚合制备硅烷改性环氧苯丙乳液，研究乳液的固含量、凝胶率、转化率、吸水率、乳液稳定性，并探究硅烷偶联剂KH-560改性苯丙乳液的耐水性能机理。 使用种子聚合的方法合成乳液，通过正交试验对关键影响因素进行研究，测试各组正交试验下乳液的性能并加以分析。 通过Materials Studio 软件对未改性乳液与硅烷改性后的乳液进行模拟，分别对未改性苯丙乳液与硅烷偶联剂改性苯丙乳液进行建模，并分别在NPT 系综与NVT 系综模型下分析计算水分子在涂层中的传输。 结果表明:改性苯丙乳液中，乳化剂(即OP-10 与SDS，OP-10 与SDS 质量比为1.5 ∶1.0)用量为7.5%(质量分数，下同)、软硬单体质量比为1.3 ∶1.0、环氧树脂E-51 用量为4%、硅烷偶联剂KH-560 用量为9%时，具有较好的吸水率(71.43%)，乳液的固含量、凝胶率、转化率分别为43.75%、0.98%、87.5%，其稳定性能良好。 通过Materials Studio 模拟计算分析对比了水分子在未改性苯丙乳液与改性苯丙乳液中的扩散系数，NPT 模拟下其分别为2.72×10－5 cm2/s、9.34×10－6 cm2/s，NVT 模拟下其分别为6.23×10－6 cm2/s、3.18×10－6cm2/s，改性苯丙乳液的扩散系数均小于未改性苯丙乳液。 利用环氧树脂E-51、硅烷偶联剂KH-560 与苯丙乳液通过乳液聚合制备硅烷改性环氧苯丙乳液，可以有效提高乳液固含量、凝胶率、转化率、乳液稳定性等基础性能。 Materials Studio 模拟分析计算结果表明，硅烷偶联剂改性苯丙乳液具有更好的耐水性能。
In order to improve the performance bottleneck of traditional styrene-acrylic emulsion in terms of water resistance and long-term stability, epoxy resin E-51 and silane coupling agent KH-560 were introduced to synergistically modify the styrene-acrylic emulsion.The silane-modified epoxy/styrene-acrylic emulsion was prepared by using epoxy resin E-51, silane coupling agent KH-560, and styrene-acrylic emulsion through emulsion polymerization.The factors affecting the performance of the emulsion, such as solid content, gel content, conversion rate, water absorption rate and emulsion stability, were studied.Additionally, the mechanism of water resistance of styrene-acrylic emulsion modified by silane coupling agent KH-560 was explored.Emulsion was synthesized using the seed polymerization method, and the key influencing factors were studied through orthogonal experiments.The performance of the emulsion in each experimental group was tested and analyzed.Simulations of the unmodified and silane-modified emulsions were performed using the Materials Studio software.Models of the unmodified styrene-acrylic emulsion and the silane coupling agent-modified styrene-acrylic emulsion were built, and the transport of water molecules within the coatings was analyzed and calculated under NPT and NVT ensemble models.Results showed that the modified styrene-acrylic emulsion with an OP-10 to SDS mass ratio of 1.5 ∶1.0, an emulsifier content of 7.5%(mass fraction, the same below), a soft-to-hard monomer mass ratio of 1.3 ∶1.0, 4%epoxy resin E-51,and 9%silane coupling agent KH-560 exhibited good performance.It had a favorable water absorption rate of 71.43%, along with desirable solid content, gel content, and conversion rate of 43.75%, 0.98%and 87.5%, respectively, and demonstrated good stability.Additionally, simulation analysis using Materials Studio compared the diffusion coefficients of water molecules in the unmodified and modified styrene-acrylic emulsions.Under NPT simulation, the diffusion coefficients were 2.72×10－5cm2/s and 9.34×10－6 cm2/s, respectively, while under NVT simulation, they were 6.23×10－6 cm2/s and 3.18×10－6 cm2/s, respectively.The diffusion coefficients of the modified styrene-acrylic emulsion were lower than those of the unmodified emulsion in both cases.Silane-modified epoxy styrene-acrylate emulsion was prepared by emulsion polymerization of epoxy resin E-51, silane coupling agent KH-560 and styrene-acrylate emulsion, which effectively improved the basic properties of the emulsion, such as solid content, gel content, conversion rate and emulsion stability.The simulation analysis and calculations using Materials Studio clearly showed the water molecule diffusion coefficients of the silane-modified styrene-acrylic emulsion compared to the unmodified emulsion.The modified emulsion had a lower diffusion coefficient, indicating that the silane-modified styreneacrylic emulsion exhibited better water resistance.
