Simple Reactor Model Simulation of a LOFT ATWS Event

1983 ◽  
Vol 61 (1) ◽  
pp. 25-32 ◽  
Author(s):  
J. Louis Tylee
Keyword(s):  
Model Simulation ◽  
Reactor Model

Validation of a multi-physics simulation platform for engine emissions modelling

2021 ◽  
pp. 146808742110643
Author(s):  
Aleksandrs Korsunovs ◽  
Oscar Garcia-Afonso ◽  
Felician Campean ◽  
Gaurav Pant ◽  
Efe Tunc
Keyword(s):  
Design Of Experiments ◽  
Model Simulation ◽  
Transient Simulation ◽  
Performance Criteria ◽  
Nox Emissions ◽  
Simulation Platform ◽  
Reactor Model ◽  
Drive Cycle ◽  
Physics Engine ◽  
Physics Simulation

This paper introduces a comprehensive and systematic Design of Experiments based methodology deployed in conjunction with a multi-physics engine air-path and combustion co-simulation, leading to the development of a global transient simulation capability for engine out NOx emissions. The proposed multi-physics engine simulation framework couples a real-time one-dimensional air flow model with a Probability Density Function based Stochastic Reactor Model that accounts for detailed in-cylinder combustion chemistry to predict combustion emissions. The integration challenge stemming from the different computation complexities and time scales required to ensure adequate fidelity levels across multi-physics simulations was addressed through a comprehensive Design of Experiments methodology to develop a reduction of the slower Stochastic Reactor Model simulation to enable a transient simulation focussed on NOx emissions. The Design of Experiments methodology, based on Optimal Latin Hypercube design experiments, was deployed on the multi-physics engine co-simulation platform and systematically validated against both steady state and transient light-duty Diesel engine test data. The surrogate selection process included the evaluation of a range of metamodels, with Kriging metamodels selected based on both the statistical performance criteria and consideration of physical phenomena trends. The transient validation was carried out on a simulated New European Drive Cycle against the experimental data available, showing good capability to capture transient NOx emission behaviour in terms of trends and values. The significance of the results is that it proves the transient and drive cycle capability of the multi-physics simulation platform, suggesting a promising potential applicability for early powertrain development work focussed on drive cycle emissions.

Model, simulation and experiments for a Buoyancy Organic Rankine Cycle

2020 ◽  
Vol 92 (1) ◽  
pp. 10906
Author(s):  
Jeroen Schoenmaker ◽  
Pâmella Gonçalves Martins ◽  
Guilherme Corsi Miranda da Silva ◽  
Julio Carlos Teixeira
Keyword(s):  
Model Simulation ◽  
Organic Rankine Cycle ◽  
Thermodynamic Cycle ◽  
Rankine Cycle ◽  
Test Body ◽  
Working Fluid ◽  
Proof Of Concept ◽  
Energy Scenario ◽  
New Type ◽  
Fluid Reservoir

Organic Rankine Cycle (ORC) systems are increasingly gaining relevance in the renewable and sustainable energy scenario. Recently our research group published a manuscript identifying a new type of thermodynamic cycle entitled Buoyancy Organic Rankine Cycle (BORC) [J. Schoenmaker, J.F.Q. Rey, K.R. Pirota, Renew. Energy 36, 999 (2011)]. In this work we present two main contributions. First, we propose a refined thermodynamic model for BORC systems accounting for the specific heat of the working fluid. Considering the refined model, the efficiencies for Pentane and Dichloromethane at temperatures up to 100 °C were estimated to be 17.2%. Second, we show a proof of concept BORC system using a 3 m tall, 0.062 m diameter polycarbonate tube as a column-fluid reservoir. We used water as a column fluid. The thermal stability and uniformity throughout the tube has been carefully simulated and verified experimentally. After the thermal parameters of the water column have been fully characterized, we developed a test body to allow an adequate assessment of the BORC-system's efficiency. We obtained 0.84% efficiency for 43.8 °C working temperature. This corresponds to 35% of the Carnot efficiency calculated for the same temperature difference. Limitations of the model and the apparatus are put into perspective, pointing directions for further developments of BORC systems.

Quantitative Ranking of Ligand Binding Kinetics with a Multiscale Milestoning Simulation Approach

2018 ◽  
Author(s):  
Benjamin R. Jagger ◽  
Christoper T. Lee ◽  
Rommie Amaro
Keyword(s):  
Molecular Dynamics ◽  
Drug Discovery ◽  
Small Molecule ◽  
Brownian Dynamics ◽  
Model Simulation ◽  
Computational Cost ◽  
Lead Selection ◽  
Delta G ◽  
Dynamics Simulations

<p>The ranking of small molecule binders by their kinetic (kon and koff) and thermodynamic (delta G) properties can be a valuable metric for lead selection and optimization in a drug discovery campaign, as these quantities are often indicators of in vivo efficacy. Efficient and accurate predictions of these quantities can aid the in drug discovery effort, acting as a screening step. We have previously described a hybrid molecular dynamics, Brownian dynamics, and milestoning model, Simulation Enabled Estimation of Kinetic Rates (SEEKR), that can predict kon’s, koff’s, and G’s. Here we demonstrate the effectiveness of this approach for ranking a series of seven small molecule compounds for the model system, -cyclodextrin, based on predicted kon’s and koff’s. We compare our results using SEEKR to experimentally determined rates as well as rates calculated using long-timescale molecular dynamics simulations and show that SEEKR can effectively rank the compounds by koff and G with reduced computational cost. We also provide a discussion of convergence properties and sensitivities of calculations with SEEKR to establish “best practices” for its future use.</p>

Research reactor model for isotope production based on the design of VVER-440 reactors

Kerntechnik ◽  
2020 ◽  
Vol 85 (2) ◽  
pp. 105-108
Author(s):  
A. Terekhova ◽  
A. Mahdi ◽  
R. Zykova
Keyword(s):  
Research Reactor ◽  
Isotope Production ◽  
Reactor Model

Response of Poinsettia Growth and Development to Ratio of Radiant to Thermal Energy

HortScience ◽  
1998 ◽  
Vol 33 (3) ◽  
pp. 508e-508
Author(s):  
Bin Liu ◽  
Royal D. Heins
Keyword(s):  
Plant Growth ◽  
Thermal Energy ◽  
Growth And Development ◽  
Model Simulation ◽  
Interactive Effect ◽  
Dry Weight ◽  
Plant Spacing ◽  
Plant Growth And Development ◽  
Daily Light Integral ◽  
Highly Correlated

A concept of ratio of radiant to thermal energy (RRT) has been developed to deal with the interactive effect of light and temperature on plant growth and development. This study further confirms that RRT is a useful parameter for plant growth, development, and quality control. Based on greenhouse experiments conducted with 27 treatment combinations of temperature, light, and plant spacing, a model for poinsettia plant growth and development was constructed using the computer program STELLA II. Results from the model simulation with different levels of daily light integral, temperature, and plant spacing showed that the RRT significantly affects leaf unfolding rate when RRT is lower than 0.025 mol/degree-day per plant. Plant dry weight is highly correlated with RRT; it increases linearly as RRT increases.

Dynamic changes in spatial microbial distribution in mixed-population biofilms: experimental results and model simulation

1995 ◽  
Vol 32 (8) ◽  
pp. 67-74 ◽  
Author(s):  
Satoshi Okabe ◽  
Kikuko Hirata ◽  
Yoshimasa Watanabe
Keyword(s):  
Oxygen Diffusion ◽  
Loading Rate ◽  
Model Simulation ◽  
Mixed Population ◽  
Experimental Results ◽  
Synthetic Wastewater ◽  
Diffusion Limitation ◽  
Dynamic Changes ◽  
Microbial Distribution ◽  
Rotating Biological Contactors

Dynamic changes in spatial microbial distribution in mixed-population biofilms were experimentally determined using a microslicer technique and simulated by a biofilm accumulation model (BAM). Experimental results were compared with the model simulation. The biofilms cultured in partially submerged rotating biological contactors (RBC) with synthetic wastewater were used as test materials. Experimental results showed that an increase of substrate loading rate (i.e., organic carbon and NH4-N) resulted in the microbial stratification in the biofilms. Heterotrophs defeated nitrifiers and dominated in the outer biofilm, whereas nitrifiers were diluted out in the outer biofilm and forced into the inner biofilm. At higher organic loading rates, a stronger stratified microbial spatial distribution was observed, which imposed a severe internal oxygen diffusion limitation on nitrifiers and resulted in the deterioration of nitrification efficiency. Model simulations described a general trend of the stratified biofilm structure. However, the actual stratification was stronger than the simulated results. For implication in the reactor design, when the specific carbon loading rate exceeds a certain limit, nitrification will be deteriorated or require a long start-up period due to the interspecies competition resulting in oxygen diffusion limitation. The extend of microbial stratification in the biofilm is especially important for determination of feasibility of nitrification in the presence of organic matters.

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