Chemical Engineering Journal 336 (2018) 361–375 Contents lists available at ScienceDirect Chemical Engineering Journal journal homepage: www.elsevier.com/locate/cej Multiscale modeling of poly(lactic acid) production: From reaction conditions to rheology of polymer melt Alexandr Zubov , Gürkan Sin Process and Systems Engineering Center (PROSYS), Department of Chemical and Biochemical Engineering, Technical University of Denmark, Søltofts Plads 229, 2800 Kgs. Lyngby, Denmark GR APHICAL A BSTRACT ARTICLE I NFO ABSTRACT Keywords: Poly(L-lactic acid) (PLLA) is a fully biodegradable bioplastic with promising market potential. The paper deals Poly(lactic) acid with systematic development and analysis of the modeling framework allowing direct mapping between PLLA Mathematical modeling production process conditions and rheological properties of the polymer melt. To achieve this, the framework Monte Carlo simulation builds upon three distinct elements that approach the production process from diﬀerent scales: (i) macroscopic Polymer melt rheology deterministic model of L,L-lactide ring opening polymerization taken from the literature, (ii) microscopic sto- Global sensitivity analysis chastic simulation of the polymerization process based on hybrid Monte Carlo approach, and (iii) mesoscopic Identiﬁability analysis public domain model of polymer chain reptation dynamics. Based on the input reaction conditions, the macro- scale model predicts L,L-lactide conversion and averaged molar mass of PLLA, while
Chemical Engineering Journal – Elsevier
Published: Mar 15, 2018
It’s your single place to instantly
discover and read the research
that matters to you.
Enjoy affordable access to
over 18 million articles from more than
15,000 peer-reviewed journals.
All for just $49/month
Query the DeepDyve database, plus search all of PubMed and Google Scholar seamlessly
Save any article or search result from DeepDyve, PubMed, and Google Scholar... all in one place.
Get unlimited, online access to over 18 million full-text articles from more than 15,000 scientific journals.
Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.
All the latest content is available, no embargo periods.
“Hi guys, I cannot tell you how much I love this resource. Incredible. I really believe you've hit the nail on the head with this site in regards to solving the research-purchase issue.”Daniel C.
“Whoa! It’s like Spotify but for academic articles.”@Phil_Robichaud
“I must say, @deepdyve is a fabulous solution to the independent researcher's problem of #access to #information.”@deepthiw
“My last article couldn't be possible without the platform @deepdyve that makes journal papers cheaper.”@JoseServera