Overview of surrogate modeling in chemical process engineering

K McBride, K Sundmacher - Chemie Ingenieur Technik, 2019 - Wiley Online Library
The ability to accurately model and simulate chemical processes has been paramount to the
growing success and efficiency in process design and operation. These improvements …

Combustion kinetic model uncertainty quantification, propagation and minimization

H Wang, DA Sheen - Progress in Energy and Combustion Science, 2015 - Elsevier
The current interest in the combustion chemistry of hydrocarbon fuels, including the various
alcohol and biodiesel compounds, motivates this review of the methods and application of …

Model-based analysis of high shear wet granulation from batch to continuous processes in pharmaceutical production–a critical review

A Kumar, KV Gernaey, T De Beer, I Nopens - European Journal of …, 2013 - Elsevier
The manufacturing of pharmaceutical dosage forms, which has traditionally been a batch-
wise process, is now also transformed into a series of continuous operations. Some …

Developing the PAH-PP soot particle model using process informatics and uncertainty propagation

M Sander, RIA Patterson, A Braumann, A Raj… - Proceedings of the …, 2011 - Elsevier
In this work we present the new PAH-PP soot model and use a data collaboration approach
to determine some of its parameters. The model describes the formation, growth and …

Modelling the flame synthesis of silica nanoparticles from tetraethoxysilane

S Shekar, M Sander, RC Riehl, AJ Smith… - Chemical Engineering …, 2012 - Elsevier
This work proposes a kinetic model and an inception pathway for the flame synthesis of
silica nanoparticles from tetraethoxysilane (TEOS). The kinetic model for the decomposition …

Stochastic weighted particle methods for population balance equations with coagulation, fragmentation and spatial inhomogeneity

KF Lee, RIA Patterson, W Wagner, M Kraft - Journal of Computational …, 2015 - Elsevier
This paper introduces stochastic weighted particle algorithms for the solution of multi-
compartment population balance equations. In particular, it presents a class of fragmentation …

Iterative improvement of Bayesian parameter estimates for an engine model by means of experimental design

S Mosbach, A Braumann, PLW Man, CA Kastner… - Combustion and …, 2012 - Elsevier
We implement an algorithm which estimates parameters of an internal combustion engine
model using a Bayesian approach and employs an experimental design technique to …

Bayesian Error Propagation for a Kinetic Model of n‐Propylbenzene Oxidation in a Shock Tube

S Mosbach, JH Hong, GPE Brownbridge… - … Journal of Chemical …, 2014 - Wiley Online Library
We apply a Bayesian parameter estimation technique to a chemical kinetic mechanism for n‐
propylbenzene oxidation in a shock tube to propagate errors in experimental data to errors …

Development of a multi-compartment population balance model for high-shear wet granulation with discrete element method

KF Lee, M Dosta, AD McGuire, S Mosbach… - Computers & chemical …, 2017 - Elsevier
This paper presents a multi-compartment population balance model for wet granulation
coupled with DEM (discrete element method) simulations. Methodologies are developed to …

Parameterisation of a biodiesel plant process flow sheet model

JJ Sikorski, G Brownbridge, SS Garud… - Computers & Chemical …, 2016 - Elsevier
This paper presents results of parameterisation of typical input–output relations within
process flow sheet of a biodiesel plant and assesses parameterisation accuracy. A variety of …