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Spyriouni, Theodora, Economou, Ioannis G., Theodorou, Doros N. (1999) Molecular Simulation of α-Olefins Using a New United-Atom Potential Model:  Vapor−Liquid Equilibria of Pure Compounds and Mixtures. Journal Of The American Chemical Society, 121 (14) 3407-3413 doi:10.1021/ja982453y

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Reference TypeJournal (article/letter/editorial)
TitleMolecular Simulation of α-Olefins Using a New United-Atom Potential Model:  Vapor−Liquid Equilibria of Pure Compounds and Mixtures
JournalJournal Of The American Chemical Society
AuthorsSpyriouni, TheodoraAuthor
Economou, Ioannis G.Author
Theodorou, Doros N.Author
Year1999 (April)Volume121
Issue14
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja982453ySearch in ResearchGate
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Mindat Ref. ID1543393Long-form Identifiermindat:1:5:1543393:2
GUID0
Full ReferenceSpyriouni, Theodora, Economou, Ioannis G., Theodorou, Doros N. (1999) Molecular Simulation of α-Olefins Using a New United-Atom Potential Model:  Vapor−Liquid Equilibria of Pure Compounds and Mixtures. Journal Of The American Chemical Society, 121 (14) 3407-3413 doi:10.1021/ja982453y
Plain TextSpyriouni, Theodora, Economou, Ioannis G., Theodorou, Doros N. (1999) Molecular Simulation of α-Olefins Using a New United-Atom Potential Model:  Vapor−Liquid Equilibria of Pure Compounds and Mixtures. Journal Of The American Chemical Society, 121 (14) 3407-3413 doi:10.1021/ja982453y
In(1999, April) Journal Of The American Chemical Society Vol. 121 (14) American Chemical Society (ACS)

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Spyriouni, Theodora, Economou, Ioannis G., Theodorou, Doros N. (1998) Molecular Simulation of the Puren-Hexadecane Vapor−Liquid Equilibria at Elevated Temperature. Macromolecules, 31. 1430-1431 doi:10.1021/ma9709157
Spyriouni, Theodora, Economou, Ioannis G., Theodorou, Doros N. (1998) Phase Equilibria of Mixtures Containing Chain Molecules Predicted through a Novel Simulation Scheme. Physical Review Letters, 80 (20). 4466-4469 doi:10.1103/physrevlett.80.4466
Spyriouni, Theodora, Economou, Ioannis G., Theodorou, Doros N. (1997) Thermodynamics of Chain Fluids from Atomistic Simulation:  A Test of the Chain Increment Method for Chemical Potential. Macromolecules, 30. 4744-4755 doi:10.1021/ma970178e
BOULOUGOURIS, GEORGIOS C., ECONOMOU, IOANNIS G., THEODOROU, DOROS N. (1999) On the calculation of the chemical potential using the particle deletion scheme. Molecular Physics, 96. 905-913 doi:10.1080/00268979909483030
Boulougouris, Georgios C., Errington, Jeffrey R., Economou, Ioannis G., Panagiotopoulos, Athanassios Z., Theodorou, Doros N. (2000) Molecular Simulation of Phase Equilibria for Water−n-Butane and Water−n-Hexane Mixtures. The Journal of Physical Chemistry B, 104 (20). 4958-4963 doi:10.1021/jp994063j
Errington, Jeffrey R., Boulougouris, Georgios C., Economou, Ioannis G., Panagiotopoulos, Athanassios Z., Theodorou, Doros N. (1998) Molecular Simulation of Phase Equilibria for Water−Methane and Water−Ethane Mixtures. The Journal of Physical Chemistry B, 102 (44). 8865-8873 doi:10.1021/jp981627v
Boulougouris, Georgios C., Economou, Ioannis G., Theodorou, Doros N. (2001) Calculation of the chemical potential of chain molecules using the staged particle deletion scheme. The Journal of Chemical Physics, 115 (17). 8231-8237 doi:10.1063/1.1405849
Peristeras, Loukas D., Economou, Ioannis G., Theodorou, Doros N. (2005) Structure and Volumetric Properties of Linear and Triarm Star Polyethylenes from Atomistic Monte Carlo Simulation Using New Internal Rearrangement Moves. Macromolecules, 38. 386-397 doi:10.1021/ma048364p
Spyriouni, Theodora, Boulougouris, Georgios C., Theodorou, Doros N. (2009) Prediction of Sorption of CO2in Glassy Atactic Polystyrene at Elevated Pressures Through a New Computational Scheme. Macromolecules, 42. 1759-1769 doi:10.1021/ma8015294
Spyriouni, Theodora, Tzoumanekas, Christos, Theodorou, Doros, Müller-Plathe, Florian, Milano, Giuseppe (2007) Coarse-Grained and Reverse-Mapped United-Atom Simulations of Long-Chain Atactic Polystyrene Melts:  Structure, Thermodynamic Properties, Chain Conformation, and Entanglements. Macromolecules, 40. 3876-3885 doi:10.1021/ma0700983
Boulougouris, Georgios C., Economou, Ioannis G., Theodorou, Doros N. (1998) Engineering a Molecular Model for Water Phase Equilibrium over a Wide Temperature Range. The Journal of Physical Chemistry B, 102 (6). 1029-1035 doi:10.1021/jp972582l
 
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