Othonas A Moultos
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Explore the profile of Othonas A Moultos including associated specialties, affiliations and a list of published articles.
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53
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308
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Recent Articles
1.
Mi F, Pang J, Li W, Moultos O, Ning F, Vlugt T
J Chem Phys
. 2024 Dec;
161(21).
PMID: 39625326
Both CH4 hydrate accumulation and hydrate-based CO2 sequestration involve hydrate formation in mixed clay sediments. The development of realistic clay models and a nanoscale understanding of hydrate formation in mixed...
2.
Mi F, He Z, Pang J, Moultos O, Vlugt T, Ning F
ACS Appl Mater Interfaces
. 2024 Nov;
16(49):67587-67596.
PMID: 39585928
A microscopic insight into hybrid CH physisorption-hydrate formation in halloysite nanotubes (HNTs) is vital for understanding the solidification storage of natural gas in the HNTs and developing energy storage technology....
3.
Chen Y, Zhao G, Yoon S, Habibi P, Hong C, Li S, et al.
ACS Appl Mater Interfaces
. 2024 Oct;
16(45):61995-62009.
PMID: 39475372
Hydrogen is a clean-burning fuel that can be converted to other forms. of energy without generating any greenhouse gases. Currently, hydrogen is stored either by compression to high pressure (>700...
4.
Polat H, Coelho F, Vlugt T, Mercier Franco L, Tsimpanogiannis I, Moultos O
J Chem Eng Data
. 2024 Oct;
69(10):3296-3329.
PMID: 39417156
An in-depth review of the available experimental and molecular simulation studies of CO diffusion in HO, which is a central property in important industrial and environmental processes, such as carbon...
5.
Fang B, Habibi P, Moultos O, Lu T, Ning F, Vlugt T
J Chem Eng Data
. 2024 Oct;
69(10):3330-3346.
PMID: 39411182
Continuous Fractional Component Monte Carlo (CFCMC) and molecular dynamics (MD) simulations are performed to calculate the solubilities and self-diffusion coefficients of four light -alkanes (methane, ethane, propane, and -butane) in...
6.
Habibi P, Dey P, Vlugt T, Moultos O
J Chem Phys
. 2024 Aug;
161(5).
PMID: 39087538
Vapor-Liquid Equilibria (VLE) of hydrogen (H2) and aqueous electrolyte (KOH and NaCl) solutions are central to numerous industrial applications such as alkaline electrolysis and underground hydrogen storage. Continuous fractional component...
7.
Hulikal Chakrapani T, Hajibeygi H, Moultos O, Vlugt T
Ind Eng Chem Res
. 2024 Jun;
63(23):10456-10481.
PMID: 38882502
H-CO mixtures find wide-ranging applications, including their growing significance as synthetic fuels in the transportation industry, relevance in capture technologies for carbon capture and storage, occurrence in subsurface storage of...
8.
Price S, Einen C, Moultos O, Vlugt T, Davies C, Eiser E, et al.
J Chem Phys
. 2024 Apr;
160(15).
PMID: 38639314
Focused ultrasound has experimentally been found to enhance the diffusion of nanoparticles; our aim with this work is to study this effect closer using both experiments and non-equilibrium molecular dynamics....
9.
Habibi P, Polat H, Blazquez S, Vega C, Dey P, Vlugt T, et al.
J Phys Chem Lett
. 2024 Apr;
15(16):4477-4485.
PMID: 38634502
Non-polarizable force fields fail to accurately predict free energies of aqueous electrolytes without compromising the predictive ability for densities and transport properties. A new approach is presented in which (1)...
10.
Hulikal Chakrapani T, Hajibeygi H, Moultos O, Vlugt T
J Chem Theory Comput
. 2023 Dec;
20(1):333-347.
PMID: 38113860
Thermodynamic factors for diffusion connect the Fick and Maxwell-Stefan diffusion coefficients used to quantify mass transfer. Activity coefficient models or equations of state can be fitted to experimental or simulation...