Computer-generated deformation of a starch molecular system

Co​mputer-generated deformation of a starch molecular system (Prepared by H. D. Özeren, KTH​)

Area 3 - Predictive processing

RCA-Leader: Roland Kádár

The RCA of Predictive processing aims at answering questions: Which influence do the modifications have on the processability, recyclability and functionalities? How is the modification chemistry related to chemical structures and morphology, processability, recyclability and the materials´ functionalities (mechanical, thermal, permeability, stability performance etc)?


(i) determine the processability of the modified lignocellulosic materials developed within FibRe using both experimental tools such as dynamic mechanical analysis (DMA), rheometry as well as theoretical tools, such as molecular dynamic simulations,
(ii) build competence of how the process window can be expanded for modified samples (including the use of processing additives),
(iii) determine the impact of chemical structures on the recyclability of the modified materials, (iv) establish relationship between chemical structures, thermal and mechanical properties, and their relation to the processing conditions, 
(iv) evaluate other forming techniques like hot-pressing and 3D-printing etc. for materials with a suitable viscosity profile. 

Motivation and description of the activities

Processing of modified lignocellulose-based materials is challenging due to its narrow process window and discoloration at high temperatures. These disadvantages can be mastered by development of new process technologies and formulations, including processing additives. FibRe also provides an opportunity to determine the processability of the modified samples and feedback the results to RCA 1, so that the chemical modification protocols can be adjusted. Other issues are that the thermoplastics should be recyclable, including that they must withstand to be melted and formed several times, a property hitherto unknown for our materials. 

For classical ideal polymer systems there is an established selection of optimal process conditions and formulations. The competence behind such relationships are totally lacking for modified lignocellulose. To enable future commercial utilization of the lignocellulosic materials such relationships must be established. The development of these relationships requires an up-dated material library (including Mw, DS, MS, glass transition temperature, degradation temperatures, melt viscosity and viscosity profile) and process parameters which will be developed. Alternative processing techniques to melt-processing techniques (extrusion, film-blowing, fused deposition modelling (3D printing)) will be evaluated for materials with a suitable viscosity profile.

Page manager Published: Fri 23 Sep 2022.