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Theodora Spyriouni
Theodora Spyriouni
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Jaar
Coarse-grained and reverse-mapped united-atom simulations of long-chain atactic polystyrene melts: Structure, thermodynamic properties, chain conformation, and entanglements
T Spyriouni, C Tzoumanekas, D Theodorou, F Müller-Plathe, G Milano
Macromolecules 40 (10), 3876-3885, 2007
2382007
Extended statistical associating fluid theory (SAFT) equations of state for dipolar fluids
EK Karakatsani, T Spyriouni, IG Economou
AIChE journal 51 (8), 2328-2342, 2005
1482005
A molecular modeling study of binary blend compatibility of polyamide 6 and poly (vinyl acetate) with different degrees of hydrolysis: an atomistic and mesoscopic approach
T Spyriouni, C Vergelati
Macromolecules 34 (15), 5306-5316, 2001
1212001
Thermodynamics of pharmaceuticals: Prediction of solubility in pure and mixed solvents with PC-SAFT
T Spyriouni, X Krokidis, IG Economou
Fluid phase equilibria 302 (1-2), 331-337, 2011
712011
Phase equilibria of mixtures containing chain molecules predicted through a novel simulation scheme
T Spyriouni, IG Economou, DN Theodorou
Physical review letters 80 (20), 4466, 1998
661998
Prediction of Sorption of CO2 in Glassy Atactic Polystyrene at Elevated Pressures Through a New Computational Scheme
T Spyriouni, GC Boulougouris, DN Theodorou
Macromolecules 42 (5), 1759-1769, 2009
642009
Thermodynamics of chain fluids from atomistic simulation: a test of the chain increment method for chemical potential
T Spyriouni, IG Economou, DN Theodorou
Macromolecules 30 (16), 4744-4755, 1997
561997
Experimental and molecular dynamics simulation study on thermal, transport, and rheological properties of asphalt
L You, T Spyriouni, Q Dai, Z You, A Khanal
Construction and Building Materials 265, 120358, 2020
532020
Experimental and molecular modeling evaluation of the physicochemical properties of proline-based deep eutectic solvents
A van den Bruinhorst, T Spyriouni, JR Hill, MC Kroon
The Journal of Physical Chemistry B 122 (1), 369-379, 2018
462018
Molecular Simulation of α-Olefins Using a New United-Atom Potential Model: Vapor− Liquid Equilibria of Pure Compounds and Mixtures
T Spyriouni, IG Economou, DN Theodorou
Journal of the American Chemical Society 121 (14), 3407-3413, 1999
431999
Carbon dioxide solubilities and diffusivities in 1-alkyl-3-methylimidazolium tricyanomethanide ionic liquids: an experimental and modeling study
LF Zubeir, TMJ Nijssen, T Spyriouni, J Meuldijk, JR Hill, MC Kroon
Journal of Chemical & Engineering Data 61 (12), 4281-4295, 2016
382016
Modeling of fluid phase equilibria with two thermodynamic theories: Non-random hydrogen bonding (NRHB) and statistical associating fluid theory (SAFT)
I Tsivintzelis, T Spyriouni, IG Economou
Fluid phase equilibria 253 (1), 19-28, 2007
312007
Evaluation of SAFT and PC-SAFT models for the description of homo-and co-polymer solution phase equilibria
T Spyriouni, IG Economou
Polymer 46 (24), 10772-10781, 2005
262005
Solubility of pharmaceuticals: A comparison between SciPharma, a PC-SAFT-based approach, and NRTL-SAC
B Bouillot, T Spyriouni, S Teychené, B Biscans
The European Physical Journal Special Topics 226, 913-929, 2017
182017
Effect of oxygenation on carbon dioxide absorption and thermophysical properties of ionic liquids: experiments and modeling using electrolyte PC-SAFT
LF Zubeir, T Spyriouni, D Roest, JR Hill, MC Kroon
Industrial & Engineering Chemistry Research 55 (32), 8869-8882, 2016
172016
Molecular simulation of the pure n-hexadecane vapor-liquid equilibria at elevated temperature
T Spyriouni, IG Economou, DN Theodorou
Macromolecules 31 (4), 1430-1431, 1998
121998
Understanding of Structural and Surface Tension Properties of Asphalt Model Using Molecular Dynamics Simulation
L You, T Spyriouni, Q Dai, Z You, JW Drelich, A Khanal
Proceedings of the RILEM International Symposium on Bituminous Materials …, 2022
42022
Influence of the Precursor Composition and Reaction Conditions on Raney-Nickel Catalytic System
S Schweizer, R Chaudret, T Spyriouni, J Low, L Subramanian
Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS …, 2016
32016
Leveraging informatics and machine learning to predict physical properties of organic compounds
ME Liosi, T Spyriouni, X Krokidis, L Subramanian
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017
2017
A comprehensive investigation on CO2 solubility and kinetics in tricyanomethanide-based ionic liquids: experiments and ePC-SAFT modeling
LF Zubeir, T Spyriouni, TMJ Nijssen, JR Hill
24th Thermodynamics Conference (Thermodynamics 2015), September 15-18, 2015 …, 2015
2015
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Artikelen 1–20