Molecular Simulations of Additive Self-Assembly, Rheology, and Surface Adsorption in Complex Fluids

该项目将使用分子动力学模拟来补充Infineum英国有限公司及其在布里斯托尔大学、剑桥大学、利兹大学和华威大学的学术合作者网络所开展的广泛的实验工作。示例如下：(1)两亲分子和聚合物在固液界面吸附的MD模拟，以补充在金刚石光源和ISIS中子和介子源进行的中子和x射线反射率测量。(2)添加剂自组装的MD模拟，以补充小角中子和x射线散射和流变测量。(3)沥青质聚集和分散的MD模拟，以补充小角中子散射测量。所有的工作都将以Infineum的工业参与为基础，由Peter J. Dowding教授（Infineum）共同监督，并与Infineum的科学家和学术合作者进行定期互动。

The project will involve using molecular-dynamics simulations to complement a broad programme of experimental work being carried out by Infineum UK Ltd and its network of academic collaborators at the Universities of Bristol, Cambridge, Leeds, and Warwick. Examples are as follows. (1) MD simulations of amphiphilic molecules and polymers adsorbed at solid-liquid interfaces, to complement neutron and X-ray reflectivity measurements carried out at Diamond Light Source and ISIS Neutron and Muon Source. (2) MD simulations of additive self-assembly, to complement small-angle neutron and X-ray scattering and rheological measurements. (3) MD simulations of asphaltene aggregation and dispersion, to complement small-angle neutron scattering measurements. All of the work will be underpinned by industrial engagement with Infineum, co-supervision by Professor Peter J. Dowding (Infineum), and regular interactions with Infineum's scientists and academic collaborators.