相关论文: A first engineering principles model for dynamical…

We present an index-1 differential-algebraic equation (DAE) model for dynamic simulation of a calciner in the pyro-section of a cement plant. The model is based on first engineering principles and integrates reactor geometry,…

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…

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…

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…

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…

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 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 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…

Macroscale continuum mechanics simulations rely on material properties stemming from the microscale, which are normally described using phenomenological equations of state (EOS). A method is proposed for the automatic generation of…

We propose a novel approach to model amorphous materials using a first principles density functional method while simultaneously enforcing agreement with selected experimental data. We illustrate our method with applications to amorphous…

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…

In this article we review results of computer simulation of glasses carried out using first principles approaches, notably density functional theory. We start with a brief introduction to this method and compare the pros and cons of this…

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…

We present a thermodynamical investigation of the alpha-gamma transition of Ce using first principles calculation based on the combination of Density Functional Theory with Dynamical Mean Field Theory. First, the scheme allows for an…

To operate process engineering systems in a safe and reliable manner, predictive models are often used in decision making. In many cases, these are mechanistic first principles models which aim to accurately describe the process. In…

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…

A methodology is proposed for formulating dynamic equations in thermo-piezoelectric and dissipative media from the first principle of energy conservation. The results are in agreement with those from Hamiltonian principle. Our formulations…

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…

This study presents a dynamic modeling approach for precipitation in electrolyte systems, focusing on the crystallization of an aromatic amine through continuous processes. A novel model, integrating equilibrium and crystallization…