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Bioplastic design using multitask deep neural networks

delete2022-12-03
delete26
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OA
AI
C
Christopher Kuenneth
J
Jessica Lalonde
B
Babetta L. Marrone
C
Carl N. Iverson
R
Rampi Ramprasad
G
Ghanshyam Pilania *
DOI:10.1038/s43246-022-00319-2delete
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摘要

摘要

En 中文
Non-degradable plastic waste jeopardizes our environment, yet our modern lifestyle and current technologies are impossible to sustain without plastics. Bio-synthesized and biodegradable alternatives such as polyhydroxyalkanoates (PHAs) have the potential to replace large portions of the world's plastic supply with cradle-to-cradle materials, but their chemical complexity and diversity limit traditional resource-intensive experimentation. Here, we develop multitask deep neural network property predictors using available experimental data for a diverse set of nearly 23,000 homo- and copolymer chemistries. Using the predictors, we identify 14 PHA-based bioplastics from a search space of almost 1.4 million candidates which could serve as potential replacements for seven petroleum-based commodity plastics that account for 75% of the world's yearly plastic production. We also discuss possible synthesis routes for the identified promising materials.
Keyword:
GLASS-TRANSITION TEMPERATURE
POLAR SURFACE-AREA
POLYMER INFORMATICS
POLYHYDROXYALKANOATE
COPOLYMERS
PLASTICS
PHAS

期刊

C
Communications Materials
IF:
9.6
论文数:
1.4K
被引数:
4.3K

机构

U
university system of georgia
学者数:
7.3W
论文数: 6.5W
被引数: 101
U
united states department of energy (doe)
学者数:
11.3W
论文数: 9.6W
被引数: 246
L
Los Alamos National Laboratory
学者数:
9.6K
论文数: 6.7K
被引数: 1.9W
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