[HTML][HTML] Surrogate data for hypothesis testing of physical systems
G Lancaster, D Iatsenko, A Pidde, V Ticcinelli… - Physics Reports, 2018 - Elsevier
The availability of time series of the evolution of the properties of physical systems is
increasing, stimulating the development of many novel methods for the extraction of …
increasing, stimulating the development of many novel methods for the extraction of …
[HTML][HTML] Kinetic Monte Carlo simulations for heterogeneous catalysis: Fundamentals, current status, and challenges
M Pineda, M Stamatakis - The Journal of Chemical Physics, 2022 - pubs.aip.org
Kinetic Monte Carlo (KMC) simulations in combination with first-principles (1p)-based
calculations are rapidly becoming the gold-standard computational framework for bridging …
calculations are rapidly becoming the gold-standard computational framework for bridging …
Optimization of an explosive waste incinerator via an artificial neural network surrogate model
In this study, the operating conditions for a novel method of explosive waste disposal have
been optimized to minimize the formation of NOx emissions. Previous methods of disposal …
been optimized to minimize the formation of NOx emissions. Previous methods of disposal …
Artificial neural network regression model to predict flue gas temperature and emissions with the spectral norm of flame image
This paper presents an experimental study on flue gas temperature (FGT) and emissions
estimation in home-type nut coal-fired burner. The proposed method does not require prior …
estimation in home-type nut coal-fired burner. The proposed method does not require prior …
110th Anniversary: Using Data to Bridge the Time and Length Scales of Process Systems
In this paper, we review the role of data as a “bridge” connecting the different time/length
scales of chemical processes in mathematical modeling and multiscale, integrated decision …
scales of chemical processes in mathematical modeling and multiscale, integrated decision …
Parametric investigation on biomass gasification in a fluidized bed gasifier and conceptual design of gasifier
In this study, rice husk gasification process, in a bubbling fluidized bed gasifier, was
investigated. To simulate gasification process, a kinetic model was used which comprises …
investigated. To simulate gasification process, a kinetic model was used which comprises …
The effect of different operational parameters on hydrogen rich syngas production from biomass gasification in a dual fluidized bed gasifier
Biomass energy will be a crucial constitution of renewable energy in the future and
hydrogen production from biomass on a large scale may contribute to a renewable …
hydrogen production from biomass on a large scale may contribute to a renewable …
Electrons to Reactors Multiscale Modeling: Catalytic CO Oxidation over RuO2
First-principles kinetic Monte Carlo (1p-kMC) simulations for CO oxidation on two RuO2
facets, RuO2 (110) and RuO2 (111), were coupled to the computational fluid dynamics …
facets, RuO2 (110) and RuO2 (111), were coupled to the computational fluid dynamics …
Combustion and emission characteristics of biomass derived biofuel, premixed in a diesel engine: A CFD study
In this study, the effect of biodiesel premixing on emission, combustion characteristics and
engine performance was numerically investigated via AVL Fire. In order to confirm the …
engine performance was numerically investigated via AVL Fire. In order to confirm the …
A computational approach for the selection of optimal catalyst shape for solid-catalysed gas-phase reactions
GM Karthik, VV Buwa - Reaction Chemistry & Engineering, 2020 - pubs.rsc.org
Particle-resolved CFD simulations are performed for four industrially important solid-
catalysed gas-phase reactions (methane steam reforming (MSR), water–gas shift (WGS) …
catalysed gas-phase reactions (methane steam reforming (MSR), water–gas shift (WGS) …