FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3100561633> ?p ?o ?g. }

• W3100561633 endingPage "10821" @default.
• W3100561633 startingPage "10811" @default.
• W3100561633 abstract "It has long been realized that stereochemistry is quite important to the mechanical properties of relevant polymers, but it still remains far from complete understanding. In this work, the tacticity dependences of the bulk modulus (B) of two stereoregular poly(methyl methacrylate) bulks have been extensively studied. Both equilibrium (EQ) and nonequilibrium (NE) molecular dynamics (MD) simulations are employed with chemically specific coarse-grained models. The fluctuation equation seems to be a simple route to calculate the B, but the result can significantly depend upon the barostat mass. The thermodynamics relation is valuable to disclosing the entropy contribution, but the result can suffer from great errors in nonlinear fitting. In particular, the instantaneous pressures and volumes during the EQ MD simulations in the “true” NPT ensemble are thus proposed to calculate the B via the definition formula. It is demonstrated in both case-by-case and averaged ways that the effects of tacticity on the B of the polymer are very slight. The identified trend is well explained as one competitive consequence of intermolecular interactions and conformational flexibility." @default.
• W3100561633 created "2020-11-23" @default.
• W3100561633 creator A5025249152 @default.
• W3100561633 date "2020-11-11" @default.
• W3100561633 modified "2023-09-27" @default.
• W3100561633 title "Tacticity Effects on the Bulk Modulus of Poly(methyl methacrylate) Explored by Coarse-Grained Simulations" @default.
• W3100561633 cites W1531417034 @default.
• W3100561633 cites W1531605341 @default.
• W3100561633 cites W1604299009 @default.
• W3100561633 cites W1966078827 @default.
• W3100561633 cites W1966459083 @default.
• W3100561633 cites W1967083375 @default.
• W3100561633 cites W1977180869 @default.
• W3100561633 cites W1977428780 @default.
• W3100561633 cites W1978498560 @default.
• W3100561633 cites W1981773827 @default.
• W3100561633 cites W1991137303 @default.
• W3100561633 cites W1991794210 @default.
• W3100561633 cites W1994365183 @default.
• W3100561633 cites W2000617202 @default.
• W3100561633 cites W2014295316 @default.
• W3100561633 cites W2017688794 @default.
• W3100561633 cites W2022247749 @default.
• W3100561633 cites W2027483932 @default.
• W3100561633 cites W2028220683 @default.
• W3100561633 cites W2030841140 @default.
• W3100561633 cites W2033396580 @default.
• W3100561633 cites W2035266068 @default.
• W3100561633 cites W2036479410 @default.
• W3100561633 cites W2041638382 @default.
• W3100561633 cites W2044143379 @default.
• W3100561633 cites W2044520737 @default.
• W3100561633 cites W2051381895 @default.
• W3100561633 cites W2054556469 @default.
• W3100561633 cites W2054949803 @default.
• W3100561633 cites W2055255598 @default.
• W3100561633 cites W2059032219 @default.
• W3100561633 cites W2070371169 @default.
• W3100561633 cites W2070446305 @default.
• W3100561633 cites W2070886223 @default.
• W3100561633 cites W2072532775 @default.
• W3100561633 cites W2076902680 @default.
• W3100561633 cites W2081693079 @default.
• W3100561633 cites W2082778997 @default.
• W3100561633 cites W2090913292 @default.
• W3100561633 cites W2091654157 @default.
• W3100561633 cites W2110924108 @default.
• W3100561633 cites W2112249209 @default.
• W3100561633 cites W2131471055 @default.
• W3100561633 cites W2132540245 @default.
• W3100561633 cites W2144505530 @default.
• W3100561633 cites W2171268876 @default.
• W3100561633 cites W2272736001 @default.
• W3100561633 cites W2315744487 @default.
• W3100561633 cites W2317609840 @default.
• W3100561633 cites W2319567137 @default.
• W3100561633 cites W2325376314 @default.
• W3100561633 cites W2332078720 @default.
• W3100561633 cites W2343957398 @default.
• W3100561633 cites W2479544304 @default.
• W3100561633 cites W2757454652 @default.
• W3100561633 cites W2757764580 @default.
• W3100561633 cites W2765538964 @default.
• W3100561633 cites W2771939272 @default.
• W3100561633 cites W2785464367 @default.
• W3100561633 cites W2794326393 @default.
• W3100561633 cites W2795452233 @default.
• W3100561633 cites W2803030054 @default.
• W3100561633 cites W2889350587 @default.
• W3100561633 cites W2891974019 @default.
• W3100561633 cites W2893699966 @default.
• W3100561633 cites W2900410424 @default.
• W3100561633 cites W2901610792 @default.
• W3100561633 cites W2904972585 @default.
• W3100561633 cites W2907186913 @default.
• W3100561633 cites W2928902444 @default.
• W3100561633 cites W2943835667 @default.
• W3100561633 cites W2965323766 @default.
• W3100561633 cites W2981056943 @default.
• W3100561633 cites W3012389417 @default.
• W3100561633 cites W3025421526 @default.
• W3100561633 cites W4299576998 @default.
• W3100561633 doi "https://doi.org/10.1021/acs.jpcb.0c06596" @default.
• W3100561633 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33176420" @default.
• W3100561633 hasPublicationYear "2020" @default.
• W3100561633 type Work @default.
• W3100561633 sameAs 3100561633 @default.
• W3100561633 citedByCount "4" @default.
• W3100561633 countsByYear W31005616332021 @default.
• W3100561633 countsByYear W31005616332022 @default.
• W3100561633 countsByYear W31005616332023 @default.
• W3100561633 crossrefType "journal-article" @default.
• W3100561633 hasAuthorship W3100561633A5025249152 @default.
• W3100561633 hasConcept C121332964 @default.
• W3100561633 hasConcept C121864883 @default.
• W3100561633 hasConcept C132050475 @default.
• W3100561633 hasConcept C147597530 @default.
• W3100561633 hasConcept C15920480 @default.

• next