Zobrazeno 1 - 10
of 29
pro vyhledávání: '"David B. Adolf"'
Autor:
David M. Whitley, David B. Adolf
Publikováno v:
Journal of Membrane Science. :260-264
The elastomeric polymer polyisobutylene has a remarkably low permeability to small penetrant molecules, so is often used in applications requiring a barrier to atmospheric gases. The permeation of the atmospheric gases O 2 and N 2 through polyisobuty
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fb58ecd4a01d0a4d5f4a903ea4c67483
https://doi.org/10.1016/j.memsci.2012.05.008
https://doi.org/10.1016/j.memsci.2012.05.008
Publikováno v:
Macromolecular Symposia. 252:140-148
A pectin comer under constant pulling speed and constant force was studied using the atomistic simulations. Molecular dynamics (MD) with the Amber99 and Amber-Glycamo4 forcefields were performed. The main result of the present Amber-based MD simulati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::47838cdd3cf8c941858731c55319e170
https://doi.org/10.1002/masy.200750614
https://doi.org/10.1002/masy.200750614
Publikováno v:
Molecular Simulation. 32:1017-1023
A review is presented of recent work in the group utilising the DL_POLY molecular dynamics package. Simulations have been performed across several areas of polymer physics including the dynamics of polyethylene as a function of density and chain leng
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::83b2056a2fa774efea0b600cd34948e1
https://doi.org/10.1080/08927020601096176
https://doi.org/10.1080/08927020601096176
Publikováno v:
Macromolecular Symposia. 237:81-89
A dextran monomer and a 10mer under constant pulling speed were studied using the atomistic simulations. Molecular dynamics (MD) with the new Amber-Glycamo 4 forcefield were performed. The main result of the present Amber-based MD simulations is that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::25290430f3eeb56a6b2adde1b7900fc1
https://doi.org/10.1002/masy.200650510
https://doi.org/10.1002/masy.200650510
Autor:
David B. Adolf, A. Kirpach
Publikováno v:
Macromolecular Symposia. 237:7-17
In current work time-resolved optical spectroscopy (TROS) has been used to study coil-globule transitions monitored by the local segmental dynamics of anthracene labeled poly (N-isopropymethacrylamide), PNIPMAM as a function of pressure (0.1 MPa-200
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2df62b826d59cde00fd3fbcf012fe053
https://doi.org/10.1002/masy.200650502
https://doi.org/10.1002/masy.200650502
Autor:
Igor M. Neelov, David B. Adolf
Publikováno v:
The Journal of Physical Chemistry B. 108:7627-7636
Brownian dynamics simulations of trifunctional hyperbranched polymers (HP) of different molecular weight (N), degree of branching (DB), and Wiener index (W) have been performed under the influence ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::571e57a47fd123650254758a24b49c41
https://doi.org/10.1021/jp030994q
https://doi.org/10.1021/jp030994q
Autor:
David B. Adolf, A. Kirpatch
Publikováno v:
Macromolecules. 37:1576-1582
Time-resolved optical spectroscopy has been employed to study the local melt segmental dynamics of anthracene-labeled cis-1,4-polybutadiene (PB) as a function of pressure (0.1-150 MPa) over a temperature range of 303-323 K PB activation volumes calcu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::85c7a3e64234c5efcfe97aa82ee1b4f1
https://doi.org/10.1021/ma0304630
https://doi.org/10.1021/ma0304630
Autor:
David B. Adolf, Igor M. Neelov
Publikováno v:
Macromolecules. 36:6914-6924
Computer simulations of perfectly branched dendrimers up to the sixth generation have been performed under the influence of uniaxial elongational flow for the first time for a model with explicit dendritic topology. The Brownian dynamics simulation t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dac1fa54db1e08695a4a92c0654af6b4
https://doi.org/10.1021/ma030088b
https://doi.org/10.1021/ma030088b
Autor:
David B. Adolf, Geoffrey R. Davies, Mikael Skrifvars, Franciska Sundholm, Satu Niemelä, Anatoly A. Darinskii F, Igor M. Neelov
Publikováno v:
Macromolecular Symposia. 191:41-50
Computer simulations are reported for system of linear polymer molecules, diblock copolymer and dendrimer in dilute solution without and with elongational flow. The effect of fluctuating hydrodynamics interactions (HI) on the coil-stretch transition
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::318e806fd90831b5260eaada04b1d7b5
https://doi.org/10.1002/masy.200390012
https://doi.org/10.1002/masy.200390012
Publikováno v:
Journal of Chemical Physics, 117(8), 4030-4041. American Chemical Society
Brownian dynamics (BD) simulations of a linear freely jointed bead–rod polymer chain with excluded volume (EV) interaction have been performed under elongational flow with and without the use of fluctuating hydrodynamic interactions (HI). The depen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e85e5d3adf3de4b83dee2e6a5d9143b
https://doi.org/10.1063/1.1493187
https://doi.org/10.1063/1.1493187