Development and modelling of sustainable polymer–based membranes for gas separation and packaging

Abstract

Membrane–based separation of gaseous mixtures is a technology that facilitates environmentally friendly and efficient control of gaseous compositions in industrial applications, from natural gas processing to the product’s shelf–life extension. Polymer–based membranes offer several advantages, such as low energy consumption, manufacturing scalability, and reduced carbon footprint. To fully enhance the overall sustainability of chemical processes, materials currently used in membrane separation should to be replaced with sustainable alternatives, such as biobased and biodegradable materials. This is a non–negotiable option to tackle the end–of–life issues and reduce carbon emissions of membrane–based separations. With a broader outlook, the membrane manufacturing sector requires a substantial shift towards a sustainable–by–design approach applied to the whole production chain, including the solvents used in the fabrication process and additives used to enhance the membrane performance.

Despite the attractiveness of biomaterials, several issues might delay their commercialisation and integration into relevant industrial applications, like the difficulty to find an optimal biopolymer formulation for a specific application. Experimental assessment of transport properties is an essential step when the industrial application of a new class of biopolymers is considered for the first time. On the other hand, a systematic experimental study is generally expensive and time–consuming, as there are many possible candidates. Computational approaches offer a cost–effective means to complement the initial experimental investigation, capable to inform future design choices and reduce the time–to–market of biopolymers. Once the relationship between the polymeric structure and its properties is established within a specific class, its performance can be further tailored for a specific application by combining polymeric matrix with materials that can modify the desired properties.

Overall, the present Dissertation aims to accelerate the integration of sustainable materials into different industrial membrane–based applications.