Limonene derived lyotropic liquid crystals: synthesis and structure

柠檬烯衍生的溶致液晶：合成和结构

• 批准号: 2826801
• 金额: --
• 依托单位: University of Leeds
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2022
• 资助国家: 英国
• 起止时间: 2022 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2826801
• 关键词: Limonene; derived; lyotropic; liquid; crystals

Background: In 2020 it was estimated that were 90 million tonnes of bio-chemicals and biopolymers produced, while petrol chemical sources are estimated to be the source of a further 330 million tonnes of chemicals and polymers. Surfactants have a wide array of applications, with global demand in 2018 of around 16.5 million megatons with an annual growth rate of around 3%. Lyotropic liquid crystals are states of matter in which an amphiphile (e.g. a surfactant) is dissolved at a certain concentration, at a certain temperature and concentration. Globally citrus is the largest fruit crop in the world, and their essential oils contain numerous useful compounds. One such compound is limonene, making up more than 85% of the essential oil content of oranges. Limonene can also obtained from the pyrolysis of waste rubber tyres, and is currently being studied as a feedstock material jet fuel additives and plasticisers. Project Objectives: The initial aim of this project are to synthesise novel surfactants using limonene as a feedstock, adhering to the 12 principles of green chemistry where possible. The differing reactivity of the endo- and exo-cyclic olefins will be exploited to produce hydrophilic (e.g. diol) and hydrophobic (e.g. alkyl) regions. Following synthesis, we will map the phase diagram with water as a function of concentration and temperature. We will utilise 2D SAXS/WAXS to obtain structural information. Atomistic MD simulations will be utilised to rationalise experimental trends. Ultimately, a family of materials will be prepared - initially using limonene but with the possibility of expanding to alternate terpenoids - and the differences in observed lyotropic behaviour will be related back to molecular structure.

背景资料：据估计，2020年生产了9000万吨生物化学品和生物聚合物，而石油化学品来源估计是另外3.3亿吨化学品和聚合物的来源。表面活性剂具有广泛的应用，2018年全球需求量约为1650万兆吨，年增长率约为3%。溶致液晶是物质的状态，其中两亲物（例如表面活性剂）在一定浓度、一定温度和浓度下溶解。柑橘是世界上最大的水果作物，其精油含有许多有用的化合物。其中一种化合物是柠檬烯，占橙子精油含量的85%以上。柠檬烯也可以从废橡胶轮胎的热解中获得，目前正在研究将其作为喷气燃料添加剂和增塑剂的原料。项目目标：该项目的最初目标是以柠檬烯为原料，在可能的情况下，遵循绿色化学的12条原则，合成新型表面活性剂。将利用内环烯烃和外环烯烃的不同反应性来产生亲水性（例如二醇）和疏水性（例如烷基）区域。在合成之后，我们将绘制水作为浓度和温度的函数的相图。我们将利用2D SAXS/WAXS获得结构信息。原子分子动力学模拟将用于合理化实验趋势。最终，将制备一系列材料-最初使用柠檬烯，但有可能扩展到替代萜类化合物-并且观察到的溶致行为的差异将与分子结构相关。