纺织学报 ›› 2020, Vol. 41 ›› Issue (05): 85-93.doi: 10.13475/j.fzxb.20190804409

• 染整与化学品 • 上一篇    下一篇

硫酸钠在低带液轧-焙-蒸活性染料染色中的作用

吴伟1,2, 陈小文1,2, 钟毅1,2,3, 徐红1,2,3, 毛志平1,2,3,4()   

  1. 1.东华大学 生态纺织教育部重点实验室, 上海 201620
    2.东华大学 化学化工与生物工程学院, 上海 201620
    3.东华大学 纺织科技创新中心, 上海 201620
    4.上海安诺其集团股份有限公司, 上海 201799
  • 收稿日期:2019-08-14 修回日期:2020-01-20 出版日期:2020-05-15 发布日期:2020-06-02
  • 通讯作者: 毛志平
  • 作者简介:吴伟(1991—),男,博士生。主要研究方向为计算化学方法在染整基础理论中的应用。
  • 基金资助:
    国家重点研发计划项目(2017YFB0309700)

Role of sodium sulfate in low add-on pad-cure-steam reactive dyeing process

WU Wei1,2, CHEN Xiaowen1,2, ZHONG Yi1,2,3, XU Hong1,2,3, MAO Zhiping1,2,3,4()   

  1. 1. Key Laboratory of Science and Technology of Eco-Textile, Ministry of Education, Donghua University, Shanghai 201620, China
    2. College of Chemistry, Chemical Engineering and Biotechnology, Donghua University, Shanghai 201620, China
    3. Innovation Center for Textile Science and Technology, Donghua University, Shanghai 201620, China
    4. Shanghai ANOKY Group Co., Ltd., Shanghai 201799, China
  • Received:2019-08-14 Revised:2020-01-20 Online:2020-05-15 Published:2020-06-02
  • Contact: MAO Zhiping

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摘要：

为探究加入硫酸钠后低带液轧-焙-蒸活性染料染色效果更好的原因,通过分子动力学模拟的方法,建立纤维表面染液层模型,研究在有无硫酸钠的条件下焙-蒸过程中体系水分蒸发、染料和离子分布情况,计算了数密度和径向分布函数。结果表明:硫酸钠在低带液轧-焙-蒸染色过程中存在保水作用,且在碱处理后,即纤维素糖环上的羟基变成氧负离子之后,保水作用更明显;硫酸钠的加入产生了纤维素氧负离子-钠离子-硫酸根离子-钠离子的稳定、定向排列的多电位层,能够有效锁住纤维表面的水分,为染料和纤维提供更好的反应环境,而且能够防止染料随着水分子在高温下发生解吸附、泳移以及水解反应。

关键词: 活性染料, 硫酸钠, 低带液, 分子动力学模拟, 保水作用

Abstract:

Aiming to explain the reasons that the dyeing performance became better after adding sodium sulfate in the low add-on pad-cure-steam reactive dyeing process, a model of dyeing solution layers on the surface of cellulose fibers were created. The water evaporation, dye and ion distribution in the systems during curing process with or without sodium sulfate were studied by means of molecular dynamics simulations. By calculating the number densities and radial distribution functions, the results show that sodium sulfate has a water retention effect in the process of low add-on pad-cure-steam reactive dyeing. After the alkali treatment, the hydroxyl groups on the cellulose sugar rings become oxygen negative ions, which make the effect of water retention becomes more obvious. The main reason for the water retention effect is that the addition of sodium sulfate produces stable and directional multi-potential layers: cellulose oxygen anion-sodium ion-sulfate ion-sodium ion. Such multi-potential layers can effectively lock moisture on the surface of the fiber, provide a better reaction environment for the dye and the fiber, and prevent desorption, migration and hydrolyzation of the dye with the water molecules at high temperature.

Key words: reactive dye, sodium sulfate, low add-on, molecular dynamics simulation, water retention

中图分类号: 

  • O647.9

图1

模拟体系设定示意图"

表1

模拟体系参数的设定"

体系
编号		 纤维
模型		 硫酸钠
质量浓度/
(g·L-1)		 钠离子
个数		 硫酸根
离子个数		 水分子
个数		 碱化
纤维素
糖环个数
Ⅰ 纤维素 0 15 0 7 423 —
Ⅱ 晶体 60 141 63 7 104 —
Ⅲ 表面碱化 0 159 0 7 423 144
Ⅳ 纤维素晶体 60 285 63 7 104 144

表2

有无硫酸钠情况下染色效果的对比"

体系 K/S平均值 色差 固色率平均值/%
无硫酸钠 5.362 2.555 5 74.55
有硫酸钠 8.045 1.216 9 86.45

图2

不同体系内(碱)纤维素晶体表面水分子个数随时间的变化"

图3

不同体系中(碱)纤维素表面水分子的数密度分布随时间的变化"

图4

不同体系中(碱)纤维素表面钠离子的数密度分布随时间的变化"

图5

碱纤维素表面硫酸根离子的数密度分布随时间的变化"

图6

体系Ⅳ中的多电位层示意图"

图7

不同体系中不同时间段内钠离子周围水分子的径向分布函数"

图8

不同时间段内硫酸根离子周围水分子的径向分布函数"

图9

不同体系中不同时间段内乙烯砜硫酸酯基团尾部的氧原子周围水分子的径向分布函数"

图10

不同体系中不同时间段内乙烯砜硫酸酯基团尾部的氧原子周围钠离子的径向分布函数"

图11

不同体系中不同时间段内乙烯砜硫酸酯基团尾部的氧原子周围钠离子的配位数"

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