Publications

Wurster fluidised-bed coating: Coarse-graining technique within CFD-DEM in conjunction with heat and mass transfer,
Philip Kjaer Jepsen, Luis Martin De Juan, Astrid Boje, Sohan Sarangi, Christian von Corswant, Srdjan Sasic,
Powder Technology, 443, 119901, 2024.

Investigating the Composition of the Metal Dimer Site in Chabazite for Direct Methane-to-Methanol Conversion,
Unni Engedahl, Astrid Boje, Henrik Ström, Henrik Grönbeck, Anders Hellman,
Journal of Physical Chemistry C, 128, 3641–3651, 2024.

Nanofluidic Trapping of Faceted Colloidal Nanocrystals for Parallel Single-Particle Catalysis,
Sune Levin, Sarah Lerch, Astrid Boje, Joachim Fritzsche, Sriram KK, Henrik Ström, Kasper Moth-Poulsen, Henrik Sundén, Anders Hellman, Fredrik Westerlund, Christoph Langhammer,
ACS Nano, 16, 15206–15214, 2022.

Stochastic population balance methods for detailed modelling of flame-made aerosol particles,
Astrid Boje, Markus Kraft,
Journal of Aerosol Science, 159, 105895, 2022. (preprint)

First-principles-informed energy span and microkinetic analysis of ethanol catalytic conversion to 1,3-butadiene on MgO,
Astrid Boje, William E. Taifan, Henrik Ström, Tomáš Bučko, Jonas Baltrusaitis, Anders Hellman,
Catalysis Science and Technology, 11, 6682–6694, 2021. (preprint)

A Complete Reaction Cycle for Methane-to-Methanol Conversion Over Cu-SSZ-13: First-Principles Calculations and Micro Kinetic Modeling,
Unni Engedahl, Astrid Boje, Henrik Ström, Henrik Grönbeck, Anders Hellman,
Journal of Physical Chemistry C 125, 14681–14688, 2021.

Light-Off in Plasmon-Mediated Photocatalysis,
Christopher Tiburski, Astrid Boje, Sara Nilsson, Zafer Say, Joachim Fritzsche, Henrik Ström, Anders Hellman, Christoph Langhammer,
ACS Nano 15, 11535–11542, 2021.

Copper Catalysis at Operando Conditions–Bridging the Gap between Single Nanoparticle Probing and Catalyst-Bed-Averaging,
David Albinsson, Astrid Boje, Sara Nilsson, Christopher Tiburski, Anders Hellman, Henrik Ström, Christoph Langhammer,
Nature Communications 11, 4832, 2020.

Study of industrial titania synthesis using a hybrid particle-number and detailed particle model,
Astrid Boje, Jethro Akroyd, Stephen Sutcliffe, Markus Kraft,
Chemical Engineering Science 219, 115615, 2020. (preprint)

A hybrid particle-number and particle model for efficient solution of population balance equations,
Astrid Boje, Jethro Akroyd, Markus Kraft,
Journal of Computational Physics 389, 189–218, 2019. (preprint)

Detailed population balance modelling of TiO2 synthesis in an industrial reactor,
Astrid Boje, Jethro Akroyd, Stephen Sutcliffe, John Edwards, Markus Kraft,
Chemical Engineering Science 164, 219–231, 2017. (preprint)


Conference Talks

Kinetics of MgO-Catalyzed Ethanol Conversion to 1,3-Butadiene,
Astrid Boje, William E. Taifan, Henrik Ström, Tomáš Bučko, Jonas Baltrusaitis, Anders Hellman,
North American Catalysis Society Meeting (NAM27), New York, 2022.

Kinetic Modelling of Ethanol Conversion to 1,3-Butadiene on MgO and Implications for Catalyst Design,
Astrid Boje, William E. Taifan, Henrik Ström, Tomáš Bučko, Jonas Baltrusaitis, Anders Hellman,
AIChE Conference, Boston, 2021.

First-Principles-Informed Kinetic Modelling in Operando Catalysis Studies: CO Oxidation on Metal Nanoparticles,
Astrid Boje, Henrik Ström, Anders Hellman,
AIChE Conference, Boston, 2021.

Exploring the free energy landscape: Comparison of kinetic models for MgO-catalyzed ethanol conversion to 1,3-butadiene,
Astrid Boje, William E. Taifan, Henrik Ström, Tomáš Bučko, Jonas Baltrusaitis, Anders Hellman,
ACS Conference, Virtual, 2021.

Multiscale modelling of CO oxidation on copper nanoparticles in nanoreactors,
Astrid Boje, David Albinsson, Christoph Langhammer, Henrik Ström, Anders Hellman,
ACS Postdoc Symposium (invited), Virtual, 2020.

Multiscale modelling of CO oxidation on copper nanoparticles in nanoreactors,
Astrid Boje, David Albinsson, Christoph Langhammer, Henrik Ström, Anders Hellman,
ACS CATL ChemistsLive (invited), Virtual, 2020.

Multiscale modelling of CO oxidation on copper nanoparticles in nanoreactors,
Astrid Boje, David Albinsson, Christoph Langhammer, Henrik Ström, Anders Hellman,
ACS Conference, San Francisco (virtual), 2020.

Monte Carlo simulations from aerosol synthesis to heterogeneous catalysis,
Astrid Boje,
Churchill College MCR CHUTalk, Cambridge (virtual), 2020.

Detailed population balance modelling using a hybrid particle model,
Astrid Boje, Jethro Akroyd, Markus Kraft,
AIChE Conference, Orlando, 2019.

Using a hybrid particle-number and particle model to study inorganic combustion synthesis,
Astrid Boje, Jethro Akroyd, Markus Kraft,
Combustion Aerosol Conference, Cambridge, 2019.

Numerical study of the evolution of particle size and morphology in an industrial titanium dioxide reactor,
Astrid Boje, Jethro Akroyd, Markus Kraft,
AIChE Conference, Pittsburgh, 2018.


Posters

Performance and predictions of kinetic models for MgO-catalyzed ethanol conversion to butadiene,
Astrid Boje, William E. Taifan, Henrik Ström, Tomáš Bučko, Jonas Baltrusaitis, Anders Hellman,
DPG Surface Science Spring Meeting, Virtual, 2021.

Computational study of temperature effects in TiO2 synthesis in an industrial reactor,
Astrid Boje, Markus Kraft,
Cambridge Particle Meeting, Cambridge, 2017.