arXiv subjects

Hyun Tae Jung

Publications and source records attributed to Hyun Tae Jung.

3 recordsLinked to original sources

arXiv2026

Giant Nonequilibrium Fluctuations at a Reactive Surface

We investigate whether giant fluctuations in a gas can induce corresponding fluctuations on a reactive surface in contact with the gas. Numerical simulations of a minimal heterogeneous catalytic reactor demonstrate that such fluctuations indeed emerge on the surface, with spatial correlations extending over micrometer scales. These fluctuations originate from the dependence of the adsorption rate on the reactant partial pressure. As a result, the surface-coverage structure factor mirrors that of the partial pressure, exhibiting similar enhancement and roll-off behavior across wave numbers.

physics.chem-ph↗

arXiv2025

Thermodynamically Consistent Incorporation of the Langmuir Adsorption Model into Compressible Fluctuating Hydrodynamics

For a gas-solid interfacial system where chemical species undergo reversible adsorption, we develop a mesoscopic stochastic modeling method that simulates both gas-phase hydrodynamics and surface coverage dynamics by coupling the Langmuir adsorption model with compressible fluctuating hydrodynamics. To this end, we derive a thermodynamically consistent mass-energy update scheme that accounts for how the mass and energy variables in the gas and surface subsystems should be updated according to the changes in the number of molecules of each species in each subsystem due to adsorption and desorption events. By performing a stochastic analysis for the ideal Langmuir model and the full hydrodynamic system, we analytically confirm that our mass-energy update scheme captures thermodynamic equilibrium predicted by equilibrium statistical mechanics. We find that an internal energy correction term is needed, which is attributed to the difference in the mean kinetic energy of gas molecules colliding with the surface from that computed from the Maxwell-Boltzmann distribution. By performing an equilibrium simulation study for an ideal gas mixture of CO and Ar with CO undergoing reversible adsorption, we validate our overall simulation method and implementation.

physics.chem-ph↗

arXiv2023

Surface Coverage Dynamics for Reversible Dissociative Adsorption on Finite Linear Lattices

Dissociative adsorption onto a surface introduces dynamic correlations between neighboring sites not found in non-dissociative absorption. We study surface coverage dynamics where reversible dissociative adsorption of dimers occurs on a finite linear lattice. We derive analytic expressions for the equilibrium surface coverage as a function of the number of reactive sites, $N$, and the ratio of the adsorption and desorption rates. Using these results, we characterize the finite size effect on the equilibrium surface coverage. For comparable $N$'s, the finite size effect is significantly larger when $N$ is even than when $N$ is odd. Moreover, as $N$ increases, the size effect decays more slowly in the even case than in the odd case. The finite-size effect becomes significant when adsorption and desorption rates are considerably different. These finite-size effects are related to the number of accessible configurations in a finite system where the odd-even dependence arises from the limited number of accessible configurations in the even case. We confirm our analytical results with kinetic Monte Carlo simulations. We also analyze the surface-diffusion case where adsorbed atoms can hop into neighboring sites. As expected, the odd-even dependence disappears because more configurations are accessible in the even case due to surface diffusion.

cond-mat.stat-mech↗