FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1966894613> ?p ?o ?g. }

• W1966894613 endingPage "9602" @default.
• W1966894613 startingPage "9590" @default.
• W1966894613 abstract "Radical polymerization processes occur through a complex network of many different reactions. It is well-known that the polymerization rate is directly related to the monomer structure. The experimental polymerizability behavior is expressed as kp/kt1/2, where kp is the rate coefficient of propagation and kt is the rate coefficient of termination. In this study, the reactivity of a series of acrylates and methacrylates is modeled in order to understand the effect of the pendant group size, the polarity of a pendant group, and the nature of the pendant group (linear vs cyclic) on their polymerizability. The geometries and frequencies are calculated with the B3LYP/6-31+G(d) methodology whereas the energetics and kinetics of these monomers have been studied using the two-component BMK/6-311+G(3df,2p)//B3LYP/6-31+G(d) level of theory. For rotations about forming/breaking bonds in the transition state, an uncoupled scheme for internal rotations has been applied with potentials determined at the B3LYP/6-31+G(d) level. Generally the rate constants for propagation kp mimic the qualitative polymerization trend of the monomers modeled and can be used with confidence in predicting the polymerizability behavior of acrylates. However in the case of 2-dimethylaminoethyl acrylate, chain transfer is found to play a major role in inhibiting the polymerization. On the other hand, the disproportionation reaction turns out to be too slow to be taken into consideration as a termination reaction." @default.
• W1966894613 created "2016-06-24" @default.
• W1966894613 creator A5010340592 @default.
• W1966894613 creator A5023886720 @default.
• W1966894613 creator A5040236537 @default.
• W1966894613 creator A5050404132 @default.
• W1966894613 creator A5066360588 @default.
• W1966894613 creator A5071451863 @default.
• W1966894613 date "2007-11-29" @default.
• W1966894613 modified "2023-09-27" @default.
• W1966894613 title "Density Functional Theory Study of Free-Radical Polymerization of Acrylates and Methacrylates: Structure−Reactivity Relationship" @default.
• W1966894613 cites W1520786278 @default.
• W1966894613 cites W1541582876 @default.
• W1966894613 cites W1970168092 @default.
• W1966894613 cites W1986066027 @default.
• W1966894613 cites W1988166475 @default.
• W1966894613 cites W1995042715 @default.
• W1966894613 cites W1996492839 @default.
• W1966894613 cites W1996715630 @default.
• W1966894613 cites W2002243001 @default.
• W1966894613 cites W2003794136 @default.
• W1966894613 cites W2006797716 @default.
• W1966894613 cites W2007210691 @default.
• W1966894613 cites W2019251040 @default.
• W1966894613 cites W2025396755 @default.
• W1966894613 cites W2032730785 @default.
• W1966894613 cites W2035196826 @default.
• W1966894613 cites W2035559628 @default.
• W1966894613 cites W2038083805 @default.
• W1966894613 cites W2055327257 @default.
• W1966894613 cites W2058888497 @default.
• W1966894613 cites W2063659418 @default.
• W1966894613 cites W2066209270 @default.
• W1966894613 cites W2076353613 @default.
• W1966894613 cites W2084957833 @default.
• W1966894613 cites W2085376942 @default.
• W1966894613 cites W2086957099 @default.
• W1966894613 cites W2087549988 @default.
• W1966894613 cites W2088902741 @default.
• W1966894613 cites W2096549472 @default.
• W1966894613 cites W2097504123 @default.
• W1966894613 cites W2139841486 @default.
• W1966894613 cites W2149478176 @default.
• W1966894613 cites W2170079840 @default.
• W1966894613 cites W2170701181 @default.
• W1966894613 cites W3040704642 @default.
• W1966894613 cites W4210975880 @default.
• W1966894613 cites W4247602707 @default.
• W1966894613 doi "https://doi.org/10.1021/ma071106i" @default.
• W1966894613 hasPublicationYear "2007" @default.
• W1966894613 type Work @default.
• W1966894613 sameAs 1966894613 @default.
• W1966894613 citedByCount "38" @default.
• W1966894613 countsByYear W19668946132012 @default.
• W1966894613 countsByYear W19668946132013 @default.
• W1966894613 countsByYear W19668946132014 @default.
• W1966894613 countsByYear W19668946132015 @default.
• W1966894613 countsByYear W19668946132016 @default.
• W1966894613 countsByYear W19668946132017 @default.
• W1966894613 countsByYear W19668946132019 @default.
• W1966894613 countsByYear W19668946132020 @default.
• W1966894613 countsByYear W19668946132022 @default.
• W1966894613 countsByYear W19668946132023 @default.
• W1966894613 crossrefType "journal-article" @default.
• W1966894613 hasAuthorship W1966894613A5010340592 @default.
• W1966894613 hasAuthorship W1966894613A5023886720 @default.
• W1966894613 hasAuthorship W1966894613A5040236537 @default.
• W1966894613 hasAuthorship W1966894613A5050404132 @default.
• W1966894613 hasAuthorship W1966894613A5066360588 @default.
• W1966894613 hasAuthorship W1966894613A5071451863 @default.
• W1966894613 hasConcept C111998727 @default.
• W1966894613 hasConcept C121120078 @default.
• W1966894613 hasConcept C121332964 @default.
• W1966894613 hasConcept C132050475 @default.
• W1966894613 hasConcept C142724271 @default.
• W1966894613 hasConcept C148898269 @default.
• W1966894613 hasConcept C161790260 @default.
• W1966894613 hasConcept C166940927 @default.
• W1966894613 hasConcept C16728422 @default.
• W1966894613 hasConcept C17365422 @default.
• W1966894613 hasConcept C178790620 @default.
• W1966894613 hasConcept C185592680 @default.
• W1966894613 hasConcept C188027245 @default.
• W1966894613 hasConcept C204787440 @default.
• W1966894613 hasConcept C2776910235 @default.
• W1966894613 hasConcept C2779989194 @default.
• W1966894613 hasConcept C44228677 @default.
• W1966894613 hasConcept C521977710 @default.
• W1966894613 hasConcept C62520636 @default.
• W1966894613 hasConcept C71924100 @default.
• W1966894613 hasConcept C93391505 @default.
• W1966894613 hasConceptScore W1966894613C111998727 @default.
• W1966894613 hasConceptScore W1966894613C121120078 @default.
• W1966894613 hasConceptScore W1966894613C121332964 @default.
• W1966894613 hasConceptScore W1966894613C132050475 @default.
• W1966894613 hasConceptScore W1966894613C142724271 @default.
• W1966894613 hasConceptScore W1966894613C148898269 @default.
• W1966894613 hasConceptScore W1966894613C161790260 @default.

• next