Efficient Computational and Experimental Probes for Kinetic Scavenging in Rubber Antiozonants DOI Creative Commons
Elliot Rossomme, Chen Dong, Colleen McMahan

и другие.

ACS Applied Polymer Materials, Год журнала: 2024, Номер unknown

Опубликована: Дек. 18, 2024

Since the discovery of 6PPD quinone and its severe toxicity to aquatic organisms, development safer rubber antiozonants (AO3s) has become imperative. Rubber AO3s must, by definition, protect compounds against degradation due ozone (O3), a function that is critical long-term performance commercial products, most notably in tire industry. Identification candidate challenging problem owing both susceptibility virgin ozonolysis stringent requirements for tires. While are known through combined mechanisms kinetic scavenging film formation, aspects each these underexplored. Herein, we develop use various experimental computational metrics─gel permeation chromatography solution viscometry as well ground-state density functional theory─for quantitative determination ability across benchmark data set 35 antidegradants. We demonstrate an efficient screening protocol scavengers discuss implications design alternatives, particularly those have been proposed recent literature.

Язык: Английский

Chronic toxicity and intergenerational effects of N-(1,3-dimethylbutyl)-N’-phenyl-p-phenylenediamine (6PPD) exposure alone and in combination with Zn2+ on Daphnia magna (Cladocera) DOI
Yang Liu, Kexin Liu, Lina Shi

и другие.

Ecotoxicology, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 29, 2024

Язык: Английский

Процитировано

0
Efficient Computational and Experimental Probes for Kinetic Scavenging in Rubber Antiozonants DOI Creative Commons
Elliot Rossomme, Chen Dong, Colleen McMahan

и другие.

ACS Applied Polymer Materials, Год журнала: 2024, Номер unknown

Опубликована: Дек. 18, 2024

Since the discovery of 6PPD quinone and its severe toxicity to aquatic organisms, development safer rubber antiozonants (AO3s) has become imperative. Rubber AO3s must, by definition, protect compounds against degradation due ozone (O3), a function that is critical long-term performance commercial products, most notably in tire industry. Identification candidate challenging problem owing both susceptibility virgin ozonolysis stringent requirements for tires. While are known through combined mechanisms kinetic scavenging film formation, aspects each these underexplored. Herein, we develop use various experimental computational metrics─gel permeation chromatography solution viscometry as well ground-state density functional theory─for quantitative determination ability across benchmark data set 35 antidegradants. We demonstrate an efficient screening protocol scavengers discuss implications design alternatives, particularly those have been proposed recent literature.

Язык: Английский

Процитировано

0