Thijs J H Vlugt
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Explore the profile of Thijs J H Vlugt including associated specialties, affiliations and a list of published articles.
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121
Citations
639
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Recent Articles
1.
Sharma S, Baur R, Rigutto M, Zuidema E, Agarwal U, Calero S, et al.
Entropy (Basel)
. 2025 Jan;
26(12.
PMID: 39766749
Entropies for alkane isomers longer than C are computed using our recently developed linear regression model for thermochemical properties which is based on second-order group contributions. The computed entropies show...
2.
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...
3.
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....
4.
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...
5.
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...
6.
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...
7.
Sharma S, Sleijfer J, Op de Beek J, van der Zeeuw S, Zorzos D, Lasala S, et al.
J Phys Chem B
. 2024 Sep;
128(39):9619-9629.
PMID: 39307994
Linear regression (LR) is used to predict thermochemical properties of alkanes at temperatures (0-1000) K to study chemical reaction equilibria inside zeolites. The thermochemical properties of C until C isomers...
8.
Wasik D, Vicent-Luna J, Rezaie S, Luna-Triguero A, Vlugt T, Calero S
ACS Appl Mater Interfaces
. 2024 Aug;
16(34):45006-45019.
PMID: 39141894
The confinement effect of porous materials on the thermodynamical equilibrium of the CO hydrogenation reaction presents a cost-effective alternative to transition metal catalysts. In metal-organic frameworks, the type of metal...
9.
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...
10.
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...