Parsa Habibi
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Explore the profile of Parsa Habibi including associated specialties, affiliations and a list of published articles.
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8
Citations
15
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Recent Articles
1.
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...
2.
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...
3.
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...
4.
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)...
5.
Blazquez S, Abascal J, Lagerweij J, Habibi P, Dey P, Vlugt T, et al.
J Chem Theory Comput
. 2023 Jul;
19(16):5380-5393.
PMID: 37506381
In this work, we computed electrical conductivities under ambient conditions of aqueous NaCl and KCl solutions by using the Einstein-Helfand equation. Common force fields (charge = ±1 ) do not...
6.
Habibi P, Rahbari A, Blazquez S, Vega C, Dey P, Vlugt T, et al.
J Phys Chem B
. 2022 Nov;
126(45):9376-9387.
PMID: 36325986
The thermophysical properties of aqueous electrolyte solutions are of interest for applications such as water electrolyzers and fuel cells. Molecular dynamics (MD) and continuous fractional component Monte Carlo (CFCMC) simulations...
7.
Fan R, Habibi P, Padding J, Hartkamp R
J Chem Phys
. 2022 Mar;
156(8):084105.
PMID: 35232204
In heterogeneous catalysis, reactivity and selectivity are not only influenced by chemical processes occurring on catalytic surfaces but also by physical transport phenomena in the bulk fluid and fluid near...
8.
Habibi P, Vlugt T, Dey P, Moultos O
ACS Appl Mater Interfaces
. 2021 Aug;
13(36):43233-43240.
PMID: 34459595
Two-dimensional (2D) boron-based materials are receiving much attention as H storage media due to the low atomic mass of boron and the stability of decorating alkali metals on the surface,...