Zobrazeno 1 - 10
of 25
pro vyhledávání: '"Theodora Spyriouni"'
Publikováno v:
RILEM Bookseries ISBN: 9783030464547
RILEM Bookseries
RILEM Bookseries
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fa68c4ce31bfc4e2ae5c67378875b87e
https://doi.org/10.1007/978-3-030-46455-4_239
https://doi.org/10.1007/978-3-030-46455-4_239
Publikováno v:
Journal of Physical Chemistry B, 122(1), 369-379. American Chemical Society
The liquid range and applicability of deep eutectic solvents (DESs) are determined by their physicochemical properties. In this work, the physicochemical properties of glycolic acid:proline and malic acid:proline were evaluated experimentally and wit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::54176da263d9b562d934d5ba36fe27d5
http://www.scopus.com/inward/record.url?scp=85040590780&partnerID=8YFLogxK
http://www.scopus.com/inward/record.url?scp=85040590780&partnerID=8YFLogxK
Publikováno v:
Construction and Building Materials. 265:120358
The purpose of this study was to evaluate the thermal (glass transition temperature), transport (self-diffusion), and rheological (viscosity, storage and loss modulus) properties of asphalt via laboratory experiments and molecular dynamics simulation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::067f552f07dfe715716be524427bd806
https://doi.org/10.1016/j.conbuildmat.2020.120358
https://doi.org/10.1016/j.conbuildmat.2020.120358
Autor:
LF Lawien Zubeir, Jörg-Rüdiger Hill, J Jan Meuldijk, Tim M.J. Nijssen, Theodora Spyriouni, Maaike C. Kroon
Publikováno v:
Journal of Chemical and Engineering Data, 61(12), 4281-4295. American Chemical Society
The solubility and diffusivity of CO2 in a series of 1-alkyl-3methylimidazolium tricyanomethanide ionic liquids ([Cnmim][TCM] with n = 2, 4, 6, 7, 8; ILs) was studied using a magnetic suspension balance at temperatures ranging from 298 to 353 K and p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a45f9f650a1674807e8b7cd023459566
https://doi.org/10.1021/acs.jced.6b00657
https://doi.org/10.1021/acs.jced.6b00657
Publikováno v:
Industrial and Engineering Chemistry Research, 55(32), 8869-8882. American Chemical Society
The thermophysical properties (decomposition temperature, glass transition temperature, density, and viscosity) of imidazolium-based ionic liquids (ILs) paired with the tricyanomethanide ([TCM]-) anion and the bis(trifluoromethylsulfonyl)imide ([Tf2N
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cf36039dbbbe71d519b70e4fdb55e602
https://doi.org/10.1021/acs.iecr.6b01984
https://doi.org/10.1021/acs.iecr.6b01984
Publikováno v:
The European Physical Journal. Special Topics
The European Physical Journal. Special Topics, EDP Sciences, 2017, 226 (5), pp.913-929 ⟨10.1140/epjst/e2016-60225-5⟩
The European Physical Journal. Special Topics, EDP Sciences, 2017, 226 (5), pp.913-929 ⟨10.1140/epjst/e2016-60225-5⟩
International audience; The solubility of seven pharmaceutical compounds (paracetamol, benzoic acid, 4-aminobenzoic acid, salicylic acid, ibuprofen, naproxen and temazepam) in pure and mixed solvents as a function of temperature is calculated with Sc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6011faedf9e5950cb54249248e4cb911
https://hal.archives-ouvertes.fr/hal-01524535/document
https://hal.archives-ouvertes.fr/hal-01524535/document
Publikováno v:
Foundations of Molecular Modeling and Simulation ISBN: 9789811011269
FOMMS
FOMMS
Raney-Nickel is routinely used in the process of selective hydrogenation of benzene and its derivatives. In order to gain a better understanding of this catalytic reaction, we have implemented both atomistic and thermodynamic modeling methods. While
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a99537a9d4ad8c2463ceeebc485c1421
https://doi.org/10.1007/978-981-10-1128-3_8
https://doi.org/10.1007/978-981-10-1128-3_8
Publikováno v:
Fluid Phase Equilibria. 302:331-337
A new scheme is presented for the parameterization of pharmaceuticals in the context of the perturbed-chain statistical associating fluid theory (PC-SAFT). The pharmaceutical parameters are fitted to experimental solubility values in three different
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::66e96182c349049dddb66aa4a0c11c8d
https://doi.org/10.1016/j.fluid.2010.08.029
https://doi.org/10.1016/j.fluid.2010.08.029
Publikováno v:
Macromolecules. 42:1759-1769
A strategy allowing the computation of sorption isotherms, up to high penetrant activities, in glassy matrices has been designed. The new scheme permits an equilibrium repartition of the solute molecules in the matrix. The scheme is coupled to an eff
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cc3d37984c0aa663e2a8b7753d6a1f1e
https://doi.org/10.1021/ma8015294
https://doi.org/10.1021/ma8015294
Autor:
Doros N. Theodorou, Florian Müller-Plathe, Christos Tzoumanekas, Giuseppe Milano, Theodora Spyriouni
Publikováno v:
Macromolecules. 40:3876-3885
A coarse-grained model of atactic polystyrene, in which meso and racemo diads are represented as single *superatoms," parametrized using Iterative Boltzmann Inversion, has been subjected to connectivity-altering Monte Carlo simulations in order to si
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc92a269a535511077bb60a733edd9d9
https://doi.org/10.1021/ma0700983
https://doi.org/10.1021/ma0700983