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Solubility of Carbon Dioxide, Hydrogen Sulfide, Methane, and Nitrogen in Monoethylene Glycol; Experiments and Molecular Simulation.
J Chem Eng Data. 2021 Jan 14;66(1):524-534. doi: 10.1021/acs.jced.0c00771. Epub 2020 Dec 3.
J Chem Eng Data. 2021.
PMID: 33487733
Free PMC article.
Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method.
Hens R, Rahbari A, Caro-Ortiz S, Dawass N, Erdős M, Poursaeidesfahani A, Salehi HS, Celebi AT, Ramdin M, Moultos OA, Dubbeldam D, Vlugt TJH.
Hens R, et al. Among authors: dawass n.
J Chem Inf Model. 2020 Jun 22;60(6):2678-2682. doi: 10.1021/acs.jcim.0c00334. Epub 2020 Apr 21.
J Chem Inf Model. 2020.
PMID: 32275829
Free PMC article.
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Kirkwood-Buff Integrals Using Molecular Simulation: Estimation of Surface Effects.
Dawass N, Krüger P, Schnell SK, Moultos OA, Economou IG, Vlugt TJH, Simon JM.
Dawass N, et al.
Nanomaterials (Basel). 2020 Apr 16;10(4):771. doi: 10.3390/nano10040771.
Nanomaterials (Basel). 2020.
PMID: 32316368
Free PMC article.
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How sensitive are physical properties of choline chloride-urea mixtures to composition changes: Molecular dynamics simulations and Kirkwood-Buff theory.
Celebi AT, Dawass N, Moultos OA, Vlugt TJH.
Celebi AT, et al. Among authors: dawass n.
J Chem Phys. 2021 May 14;154(18):184502. doi: 10.1063/5.0049064.
J Chem Phys. 2021.
PMID: 34241035
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Solubilities and Transport Properties of CO2, Oxalic Acid, and Formic Acid in Mixed Solvents Composed of Deep Eutectic Solvents, Methanol, and Propylene Carbonate.
Dawass N, Langeveld J, Ramdin M, Pérez-Gallent E, Villanueva AA, Giling EJM, Langerak J, van den Broeke LJP, Vlugt TJH, Moultos OA.
Dawass N, et al.
J Phys Chem B. 2022 May 19;126(19):3572-3584. doi: 10.1021/acs.jpcb.2c01425. Epub 2022 May 4.
J Phys Chem B. 2022.
PMID: 35507866
Free PMC article.
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Prediction of Adsorption and Diffusion of Shale Gas in Composite Pores Consisting of Kaolinite and Kerogen using Molecular Simulation.
Dawass N, Vasileiadis M, Peristeras LD, Papavasileiou KD, Economou IG.
Dawass N, et al.
J Phys Chem C Nanomater Interfaces. 2023 May 16;127(20):9452-9462. doi: 10.1021/acs.jpcc.3c00499. eCollection 2023 May 25.
J Phys Chem C Nanomater Interfaces. 2023.
PMID: 38357005
Free PMC article.
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