Dynamical p ope ies o poly(lac ic acid) s e eoisome s
P. Bačo á1*, S. K. Díaz González1, V. Ha manda is2,3,4,S. I. Molina1
1Depa amen o de Ciencia de los Ma e iales e Ingenie ía Me alú gica y Química Ino gánica, Facul ad de Ciencias, IMEYMAT,
Campus Uni e si a io Río San Ped o s/n., Uni e sidad de Cádiz, 11510 Pue o Real, Cádiz, Spain
2Compu a ion-Based Science and Technology Resea ch Cen e , The Cyp us Ins i u e, Nicosia, Cyp us
3Depa men o Ma hema ics and Applied Ma hema ics, Uni e si y o C e e, He aklion, C e e,
G eece
4 Ins i u e o Applied and Compu a ional Ma hema ics, Founda ion o Resea ch and Technology - Hellas, GR-71110 He aklion, C e e, G eece
*e-mail: pe a.baco [email protected]
MOTIVATION
GLASS TRANSITION TEMPERATURE FROM ATOMISTIC SIMULATIONS
This esea ch was unded by he Eu opean Union’s Ho izon 2020 esea ch and inno a ion p og am
unde G an no. 810660 and unde he Ma ie Skłodowska-Cu ie Ho izon Eu ope ac ion (g an
ag eemen no. 101105208). Compu ing ime g an ed om he GRNET S.A. in he Na ional HPC acili y
ARIS unde he p ojec name SPASA and ESSPO is also acknowledged. This wo k was made possible
h ough a ui ul collabo a ion wi h M. Ma u i (UCA, Spain) and M. I. Asenjo Sanz (CFM-CSIC, San
Sebas ián, Spain).
DSC AND MODULATED DSC
SEGMENTAL RELAXATION FROM ATOMISTIC SIMULATIONS •Glass ansi ion empe a u e and segmen al elaxa ion ime es ima ed o PLA samples
o di e en molecula weigh and s e eochemis y by a omis ic simula ions and
modula ed di e en ial scanning calo ime y
•Molecula weigh dependence o Tg ollows he Flo y-Fox ela ion
•Segmen al elaxa ion imes show a e y simila end as Tg
•Flo y-Fox ela ion o copolyme s seems o be alid only o low con en o D-monome
CONCLUSIONS
ACKNOWLEDGEMENTS
REFERENCES
[1] J. H. McAliley and D. A. B uce, 7, 11, J. Chem. Theo y Compu . , 3756–3767, 2011.
[2] D. V. Guse a, A. A. Lazu in, and V. V. Vasile skaya, Polyme , ol. 221, 123577, 2021.
[3] A. D. Glo a e al., Polym. In ., 65, 8, 892–898, 2016.
[4] A. D. Glo a e al., Mac omolecules, 51, 2, 552–563, 2018.
[5] M. Klajmon, V. Aulich, J. Ludik, and C. Ce inka, Ind. & Eng. Chem. Res., 62, 49, 2143721448, 2023.
[6] P. A. Klonos, N. D. Bikia is, P. Ba mpalexis, and A. Ky i sis, Polyme , 305, 127177, 2024.
EFFECT OF MOLECULAR WEIGHT: PLLA
EFFECT OF STEREOCHEMISTRY
•S udy glass ansi ion empe a u e (Tg) and segmen al elaxa ion (τ) in poly(lac ic
acid) (PLA) s e eoisome s: PLLA, PDLA and copolyme s o di e en L and D con en
•Connec heo e ical and expe imen al da a o elucida e he s uc u e-p ope ies-
pe o mance ela ionship
•Quick cooling om 190˚C o -20˚C (MDSC) and o -50˚C (DSC) o keep PLA amo phous
SYSTEMS UNDER INVESTIGATION
GPC in DMF, PS e e ence
