Related papers: Supercritical Water Gasification: Practical Design…
Building a new generation of fission reactors in the United States presents many technical and regulatory challenges. One important challenge is the need to share and present results from new high-fidelity, high-performance simulations in…
Additive manufacturing has enabled the fabrication of advanced reactor geometries, permitting larger, more complex design spaces. Identifying promising configurations within such spaces presents a significant challenge for current…
Water treatment facilities are critical infrastructure they must accommodate dynamic demand patterns without system disruption. These patterns can be scheduled, such as daily residential irrigation, or unexpected, such as demand spikes from…
Chemical multisensor devices need calibration algorithms to estimate gas concentrations. Their possible adoption as indicative air quality measurements devices poses new challenges due to the need to operate in continuous monitoring modes…
The reaction-coordinate mapping is a useful technique to study complex quantum dissipative dynamics into structured environments. In essence, it aims to mimic the original problem by means of an 'augmented system', which includes a suitably…
Paired electrolysis at industrial current densities offers an energy-efficient and sustainable alternative to thermocatalytic chemical synthesis by leveraging anodic and cathodic valorization. However, its industrial feasibility remains…
Optimal operation of chemical processes is vital for energy, resource, and cost savings in chemical engineering. The problem of optimal operation can be tackled with reinforcement learning, but traditional reinforcement learning methods…
Understanding the migration and trapping of CO$_2$ in the subsurface is vital to geologic carbon storage projects. Traditional characterization methods employ steady-state co-injection experiments to determine relative permeability and…
Investigating the high-pressure pyrolysis and oxidation of hydrogen and syngas is essential for developing accurate combustion models under real engine conditions. Accordingly, flow reactors have been increasingly used in these fundamental…
Most water in the universe may be superionic, and its thermodynamic and transport properties are crucial for planetary science but difficult to probe experimentally or theoretically. We use machine learning and free energy methods to…
This paper presents an efficient methodology for the robust optimisation of Continuous Flow Polymerase Chain Reaction (CFPCR) devices. It enables the effects of uncertainties in device geometry, due to manufacturing tolerances, on the…
Understanding the evolution of electrified solid-liquid interfaces during electrochemical reactions is crucial. However, capturing the dynamic behavior of the interfaces with high temporal resolution and accuracy over long timescales…
One of the challenges in operating nuclear power plants is to decide the amount of fuel needed in a cycle. Large-scale nuclear power plants are designed to operate at base load, meaning that they are expected to always operate at full…
We consider the optimization of a chemical microchannel reactor by means of PDE constrained optimization techniques, using the example of the Sabatier reaction. To model the chemically reacting flow in the microchannels, we introduce a…
The solidification and macro-segregation problem involving unsteady multi-physics and multi-phase fields is typically a complex process with mass, momentum, heat, and species transfers among solid, mushy, and liquid phase regions. The…
Spiking reservoir computing provides an energy-efficient approach to temporal processing, but reliably tuning reservoirs to operate at the edge-of-chaos is challenging due to experimental uncertainty. This work bridges abstract notions of…
Understanding grain-surface processes is crucial to interpreting the chemistry of the ISM. However, accurate surface chemistry models are computationally expensive and are difficult to integrate with gas-phase simulations. A new…
The accurate and robust simulation of transcritical real-fluid effects is crucial for many engineering applications, such as fuel injection in internal combustion engines, rocket engines and gas turbines. For example, in diesel engines, the…
The present paper is meant as an update of the presentation given in a previous Resistive Plate Chamber (RPC) workshop, aimed at finding an eco-friendly gas mixture for streamer operation of RPCs. Indeed the streamer working regime is still…
We are concerned with the simulation and optimization of large-scale gas pipeline systems in an error-controlled environment. The gas flow dynamics is locally approximated by sufficiently accurate physical models taken from a hierarchy of…