SearcharxivSearch

arXiv · 2510.17912

Space charge and ion transport in aerosol neutralization: Toward a concentration-dependent alternative to the $N_it$ product

Abstract

In this study, we quantify how charged particle concentration affects the neutralization rate of aerosol particles, focusing on the role of ion dynamics shaped by internal electric fields arising from net space charge. Conventional neutralizer performance is typically evaluated using the $N_it$ product, which assumes quasi-neutral conditions and neglects electric fields from small charge imbalances. We demonstrate that internal electric fields become increasingly important at high aerosol concentrations and significantly influence neutralization dynamics. We develop a coupled ion--aerosol transport model in a two-dimensional axisymmetric geometry that includes ion generation, convection, diffusion, recombination, attachment to aerosols, and wall loss, with self-consistent electric fields obtained from the Poisson equation. Results show that even small net charges generate electric fields that enhance ion drift and accelerate neutralization, effects not captured by traditional $N_it$-based approaches. Using a neutralization time metric, we find that neutralization becomes slower with increasing aerosol number concentration $N_p$, higher initial particle charge $q_0$, and smaller particle diameter $d_p$ when space charge is absent. When space charge is included, the influence of $q_0$ and $d_p$ diminishes, while $N_p$ becomes the dominant factor governing neutralization behavior. Accordingly, we propose a concentration-dependent analytical expression for mean charge relaxation that captures coupled ion--aerosol transport and space charge effects. The modeling framework presented here is applicable to laboratory instruments, industrial processes, and atmospheric environments where electrostatic interactions govern aerosol behavior.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Kunal. Ghosh, Gargi Sengupta, Rukhsar Parveen, Y. S. Mayya. 2025-10-19. Space charge and ion transport in aerosol neutralization: Toward a concentration-dependent alternative to the $N_it$ product. https://arxiv.org/abs/2510.17912

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Breaking Water at Graphene Defects

Water dissociation at solid surfaces underpins processes ranging from corrosion and catalysis to electrochemistry and photovoltaics. Defects often serve as reactive sites for dissociation, yet how solvation influences water dissociation at such sites remains poorly understood. Here, we use state-of-the-art machine-learned interatomic potentials to explore water dissociation at defective graphene-water interfaces. We show that solvation qualitatively changes the reaction mechanism at a graphene single vacancy (SV), opening pathways that are absent for an isolated water molecule. Whereas the gas-phase process proceeds via a single concerted channel, the solvated SV splits water through two competing pathways: a basic route forming SV-H and OH-(aq), and an acidic route forming SV-OH and H3O+(aq). These lower-barrier pathways produce distinct chemisorbed intermediates that enhance graphene-water adsorption. Accordingly, even a simple carbon vacancy gives rise to unexpectedly rich interfacial chemistry, coupling surface chemistry to interfacial charge and wettability, with implications for carbon functionalization and nanofluidic transport.

physics.chem-ph

Comprehensive Study of L-Menthol and Octanoic Acid as a Hydrophobic Eutectic Solvent

Hydrophobic eutectic solvents (HES) based on natural compounds represent promising green alternatives to conventional solvents. In this work, we investigate the physicochemical, structural, and dynamical properties of an ES formed by L-menthol and octanoic acid using a combined experimental and molecular dynamics simulation approach. Five compositions with molar ratios from 1:3 to 3:1 were studied with molecular dynamics simulation in the temperature range 15 degrees C to 35 degrees C. Experimental measurements of density and viscosity in the temperature range from 5 degrees C to 35 degrees C were complemented with results obtained from MD simulations employing the OPLS force field. Structural analyses based on radial distribution functions and Kirkwood-Buff integrals reveal that the dominant interactions in the mixture are hydrogen bonds between L-menthol and octanoic acid molecules. Dynamic properties, including self-diffusion coefficients and hydrogen-bond lifetimes, indicate that intermolecular hydrogen bonds between the two components are stronger and longer-lived than bonds between identical species. These findings provide molecular-level insight into the structure and transport properties of menthol-based ESs relevant for green solvent applications.

physics.chem-ph

More is not always better: Dissociative photoionization limits the EUV absorbing photacid generator pentafluorophenyl triflate in photolithography

Pentafluorophenyl triflate has been explored as a highly absorbing neutral photoacid generator (PAG) candidate for next generation chemically amplified resists used in extreme ultraviolet (EUV) lithography. Although increased fluorination enhances EUV absorption, this study demonstrates that such an approach does not necessarily improve photoacid generation efficiency. Using photoelectron-photoion coincidence (PEPICO) spectroscopy at the 92 eV photon energy of the EUV scanners in combination with quantum chemical calculations, the dissociative photoionization of pentafluorophenyl triflate was systematically investigated. The photoionization mass spectrum reveals extensive fragmentation, with the parent ion contributing only 3.1 % of the total signal and CF$_3^+$ representing the dominant product ion. Computed appearance energies align well with experimental trends and support a sequential fragmentation pathway involving loss of SO$_2$, CF$_3$, and CO. Crucially, none of the major dissociation channels yield precursors capable of forming triflic acid, the strong photoacid required for efficient deprotection reactions in chemically amplified resists. Combined with previous dissociative electron attachment studies indicating similarly unfavorable fragmentation, the results demonstrate that despite its high EUV absorption cross section, pentafluorophenyl triflate is unsuitable as a PAG for EUV lithography. The findings highlight the importance of understanding fundamental photoionization and electron interaction mechanisms to guide the rational design of next generation high performance EUV photoresists.

physics.chem-ph