Related papers: A First-Engineering Principles Model for Dynamical…
We provide a cyclone model for dynamical simulations in the pyro-process of cement production. The model is given as an index-1 differential-algebraic equation (DAE) model based on first engineering principle. Using a systematic approach,…
This study presents a dynamic simulation model for the pyro-process of clinker production in cement plants. The study aims to construct a simulation model capable of replicating the real-world dynamics of the pyro-process to facilitate…
We present a 2D model for a grate belt cooler in the pyro-section of a cement plant. The model is formulated as an index-1 differential-algebraic equation (DAE) model based on first engineering principles. The model systematically…
We present a novel dynamic model of a flash clay calciner. The model consists of thermophysical properties, reaction kinetics and stoichiometry, transport, mass and energy balances, and algebraic constraints. This gives rise to a system of…
This study provides a systematic description and results of a dynamical simulation model of a rotary kiln for clinker, based on first engineering principles. The model is built upon thermophysical, chemical, and transportation models for…
The operation of the pyro process in cement production significantly affects the energy efficiency and sustainability of the cement plant, especially for reductions in carbon dioxide emissions. Hence, pyro process control is essential to…
We present a novel dynamic model of an electric flash clay calcination plant. Calcined kaolinite-rich clay has been identified as one of the most effective candidates for supplementary cementitious material (SCM), because of its large…
We develop a mathematical model for dynamic simulation of an alkaline electrolyzer plant. The plant includes the stack, a water recirculation system and hydrogen storage with compressor. We model each component of the system with mass and…
We treat the accurate simulation of the calcination reaction in particles, where the particles are large and, thus, the inner-particle processes must be resolved. Because these processes need to be described with coupled partial…
We present a multi-model simulation approach, targeted at understanding the behavior of comminution and the effect of grinding aids (GAs) in industrial cement mills. On the atomistic scale we use Molecular Dynamics (MD) simulations with…
We study the modeling and simulation of gas pipeline networks, with a focus on fast numerical methods for the simulation of transient dynamics. The obtained mathematical model of the underlying network is represented by a nonlinear…
We present a novel cluster-expansion (CE) approach for the first-principles modeling of temperature and concentration dependent alloy properties. While the standard CE method includes temperature effects only via the configurational entropy…
This article proposes a dynamical system modeling approach for the analysis of longitudinal data of self-regulated systems experiencing multiple excitations. The aim of such an approach is to focus on the evolution of a signal (e.g., heart…
Devising a computational tool that assesses the thermodynamic stability of materials is among the most important steps required to build a ``virtual laboratory'', where materials could be designed from first-principles without relying on…
We present a computationally efficient general first-principles based method for spin-lattice simulations for solids. Our method is based on a combination of atomistic spin dynamics and molecular dynamics, expressed through a spin-lattice…
Modern modeling languages for general physical systems, such as Modelica, Amesim, or Simscape, rely on Differential Algebraic Equations (DAE), i.e., constraints of the form f(dot{x},x,u)=0. This drastically facilitates modeling from first…
First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing…
Cement production, exceeding 4.1 billion tonnes and contributing 2.4 tonnes of CO2 annually, faces critical challenges in quality control and process optimization. While traditional process models for cement manufacturing are confined to…
Due to critical environmental and technological issues, there is a pressing need to switch from current refrigeration methods based on compression of gases to novel solid-state cooling technologies. Solid-state cooling is based on the…
Current physics models used to interpret experimental measurements of particle beams require either simplifying assumptions to be made in order to ensure analytical tractability, or black box optimization methods to perform model based…