Stochastic population balance methods for detailed modelling of flame-made aerosol particles

A Boje, M Kraft - Journal of Aerosol Science, 2022 - Elsevier
Particle formation and growth by chemical reactions and physical processes has
implications spanning properties of industrial chemicals, human health, and environmental …

On the coagulation efficiency of carbonaceous nanoparticles

D Hou, D Zong, CS Lindberg, M Kraft, X You - Journal of Aerosol Science, 2020 - Elsevier
In this paper we derived the interaction energy between two spherical nanoparticles from the
pair-wise Lennard-Jones attractive and repulsive potentials of the constituent atoms of the …

A free-energy-based and interfacially consistent phase-field model for solid-state sintering without artificial void generation

Q Yang, Y Gao, A Kirshtein, Q Zhen, C Liu - Computational Materials …, 2023 - Elsevier
In this work, a new free-energy-based and interfacially consistent phase-field model for solid-
state sintering has been proposed. A phase-field model is considered interfacially consistent …

[HTML][HTML] On the fractal dimension of carbon black particles in pyrolysis flow reactors

A Khabazipur, N Eaves - Journal of Aerosol Science, 2024 - Elsevier
This study presents a numerical approach for simulating the internal morphology of carbon
black particles formed in a pyrolysis reactor. The simulation process involves a two-step …

Impact of the competition between aggregation and surface growth on the morphology of soot particles formed in an ethylene laminar premixed flame

J Morán, A Poux, J Yon - Journal of Aerosol Science, 2021 - Elsevier
Soot particle surface growth may have a significant impact on aggregation kinetics, particle
morphology, and both aggregate and monomer size distributions. Particularly, the …

A reactive force field molecular dynamics study on the inception mechanism of titanium tetraisopropoxide (TTIP) conversion to titanium clusters

D Hou, M Feng, J Wei, Y Wang, ACT van Duin… - Chemical Engineering …, 2022 - Elsevier
We performed ReaxFF reactive molecular dynamics simulations to investigate the inception
mechanism of TTIP precursor droplet conversion to Ti-containing clusters in 1000 K–2500 K …

Simulating yield and morphology of carbonaceous nanoparticles during fuel pyrolysis in laminar flow reactors enabled by reactive inception and aromatic adsorption

A Naseri, MR Kholghy, NA Juan, MJ Thomson - Combustion and Flame, 2022 - Elsevier
Carbon black and soot are synthesized by gas-phase pyrolysis of hydrocarbons. Inception,
surface growth, and coagulation control process yield and agglomerate morphology. Here …

Numerical simulation and parametric sensitivity study of titanium dioxide particles synthesised in a stagnation flame

CS Lindberg, MY Manuputty, P Buerger, J Akroyd… - Journal of Aerosol …, 2019 - Elsevier
A detailed population balance model is used to simulate titanium dioxide nanoparticles
synthesised in a stagnation flame from titanium tetraisopropoxide (TTIP) precursor. A two …

Detailed characterisation of TiO2 nano-aggregate morphology using TEM image analysis

MY Manuputty, CS Lindberg, ML Botero… - Journal of Aerosol …, 2019 - Elsevier
A detailed morphological characterisation is performed on flame synthesised TiO 2 nano-
aggregates (number of primaries, N< 10) using transmission electron microscopy (TEM) …

Event-driven sorting algorithm-based Monte Carlo method with neighbour merging method for solving aerosol dynamics

F Wang, L An, TL Chan - Applied Mathematical Modelling, 2023 - Elsevier
A new event-driven sorting algorithm-based merging Monte Carlo (SAMMC) method is
proposed and developed for solving the general dynamic equation in aerosol dynamics. A …