scholarly journals Linear Analysis of a Continuous Crystallization Process for Enantiomer Separation

Processes ◽  
2020 ◽  
Vol 8 (11) ◽  
pp. 1337
Author(s):  
Michael Mangold ◽  
Nadiia Huskova ◽  
Jonathan Gänsch ◽  
Andreas Seidel-Morgenstern
Keyword(s):  
Analytical Solution ◽  
Linear Model ◽  
Process Design ◽  
Crystallization Process ◽  
Enantiomer Separation ◽  
Computational Domain ◽  
Process Dynamics ◽  
Continuous Crystallization ◽  
Operation Conditions ◽  
Insight Into

Continuous preferential crystallization is an innovative approach to the separation of chiral substances. The process considered in this work takes place in a gently agitated fluidized bed located in a tubular crystallizer. The feasibility of the process has been shown in previous work, but it also turned out that choosing suitable operation conditions is quite delicate. Hence, a model based process design is desirable. Existing models of the process are rather complicated and require long computational times. In this work, a simple linear dynamic model is suggested, which captures the main properties of the process. The model is distributed in space and in a property coordinate. Using the method of characteristics, a semi-analytical solution of the linear model is derived. As a challenge to the solution, there is a recycle loop in the process that causes a feedback and couples the boundary conditions at different boundaries of the computational domain. In order to deal with this, a numerical scheme is suggested. The semi-analytical solution provides a deeper insight into the process dynamics. A comparison with a more detailed mathematical model of the process and with experiments shows strengths and limitations of the linear model.

scholarly journals Data-Informed Decomposition for Localized Uncertainty Quantification of Dynamical Systems

Vibration ◽  
2020 ◽  
Vol 4 (1) ◽  
pp. 49-63
Author(s):  
Waad Subber ◽  
Sayan Ghosh ◽  
Piyush Pandita ◽  
Yiming Zhang ◽  
Liping Wang
Keyword(s):  
Dynamical Systems ◽  
Computational Cost ◽  
Three Dimensional ◽  
Region Of Interest ◽  
System Response ◽  
Computational Domain ◽  
User Interest ◽  
Numerical Resolution ◽  
Multi Scale ◽  
Operation Conditions

Industrial dynamical systems often exhibit multi-scale responses due to material heterogeneity and complex operation conditions. The smallest length-scale of the systems dynamics controls the numerical resolution required to resolve the embedded physics. In practice however, high numerical resolution is only required in a confined region of the domain where fast dynamics or localized material variability is exhibited, whereas a coarser discretization can be sufficient in the rest majority of the domain. Partitioning the complex dynamical system into smaller easier-to-solve problems based on the localized dynamics and material variability can reduce the overall computational cost. The region of interest can be specified based on the localized features of the solution, user interest, and correlation length of the material properties. For problems where a region of interest is not evident, Bayesian inference can provide a feasible solution. In this work, we employ a Bayesian framework to update the prior knowledge of the localized region of interest using measurements of the system response. Once, the region of interest is identified, the localized uncertainty is propagate forward through the computational domain. We demonstrate our framework using numerical experiments on a three-dimensional elastodynamic problem.

scholarly journals Modeling of a Real-Life Industrial Reactor for Hydrogenation of Benzene Process

Catalysts ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 412
Author(s):  
Mirosław K. Szukiewicz ◽  
Krzysztof Kaczmarski
Keyword(s):  
Catalyst Activity ◽  
Real Life ◽  
Operating Conditions ◽  
Reactor Operation ◽  
Reactor Model ◽  
High Scale ◽  
Industrial Reactor ◽  
Knowledge Based ◽  
Operation Conditions ◽  
Insight Into

A dynamic model of the hydrogenation of benzene to cyclohexane reaction in a real-life industrial reactor is elaborated. Transformations of the model leading to satisfactory results are presented and discussed. Operating conditions accepted in the simulations are identical to those observed in the chemical plant. Under those conditions, some components of the reaction mixture vanish, and the diffusion coefficients of the components vary along the reactor (they are strongly concentration-dependent). We came up with a final reactor model predicting with reasonable accuracy the reaction mixture’s outlet composition and temperature profile throughout the process. Additionally, the model enables the anticipation of catalyst activity and the remaining deactivated catalyst lifetime. Conclusions concerning reactor operation conditions resulting from the simulations are presented as well. Since the model provides deep insight into the process of simulating, it allows us to make knowledge-based decisions. It should be pointed out that improvements in the process run, related to operating conditions, or catalyst application, or both on account of the high scale of the process and its expected growth, will remarkably influence both the profits and environmental protection.

scholarly journals On numerical solver selection and related uncertainty terminology

2009 ◽  
Vol 12 (3) ◽  
pp. 241-250 ◽  
Author(s):  
Petra Claeys ◽  
Ann van Griensven ◽  
Lorenzo Benedetti ◽  
Bernard De Baets ◽  
Peter A. Vanrolleghem
Keyword(s):  
Fluid Dynamics ◽  
Mathematical Models ◽  
Process Design ◽  
Uncertainty Assessment ◽  
Environmental Modelling ◽  
Chemical Systems ◽  
The Past ◽  
Numerical Solver ◽  
Physical And Chemical ◽  
Insight Into

Mathematical models provide insight into numerous biological, physical and chemical systems. They can be used in process design, optimisation, control and decision support, as acknowledged in many different fields of scientific research. Mathematical models do not always yield reliable results and uncertainty should be taken into account. At present, it is possible to identify some factors contributing to uncertainty, and the awareness of the necessity of uncertainty assessment is rising. In the fields of Environmental Modelling and Computational Fluid Dynamics, for instance, terminology related to uncertainty exists and is generally accepted. However, the uncertainty due to the choice of the numerical solver and its settings used to compute the solution of the models did not receive much attention in the past. A motivating example on the existence and effect of numerical uncertainty is provided and clearly shows that we can no longer ignore it. This paper introduces a new terminology to support communication about uncertainty caused by numerical solvers, so that scientists become perceptive to it.

Insight into crystallization process of rubrene by binary solvent mixtures

RSC Advances ◽  
2016 ◽  
Vol 6 (5) ◽  
pp. 3532-3538 ◽  
Author(s):  
Lijuan Wang ◽  
Yiping Li ◽  
Fengjun Zou ◽  
Hao Du ◽  
Lijing Sun ◽  
...  
Keyword(s):  
Boiling Point ◽  
Evaporation Rate ◽  
Crystallization Process ◽  
Binary Solvent ◽  
Solvent Mixtures ◽  
Blend Ratio ◽  
Binary Solvent Mixtures ◽  
High Boiling Point ◽  
Insight Into

Rubrene crystals have been prepared by properly tuning the blend ratio and evaporation rate of the high-boiling-point solvent.

Numerical Assessment of SCAP: A Passive System for Preventing Thermoacoustic Oscillations in Gas Turbine Annular Combustors

2007 ◽  
Author(s):  
Stefano Tiribuzi
Keyword(s):  
Gas Turbine ◽  
Gas Turbines ◽  
Research Unit ◽  
Combined Cycle ◽  
Computational Time ◽  
Computational Domain ◽  
Ambient Conditions ◽  
Pressure Oscillations ◽  
Operation Conditions ◽  
Thermoacoustic Oscillations

ENEL operates a dozen combined cycle units whose V94.3A gas turbines are equipped with annular combustors. In such lean premixed gas turbines, particular operation conditions could trigger large pressure oscillations due to thermoacoustic instabilities. The ENEL Research unit is studying this phenomenon in order to find out methods which could avoid or mitigate such events. The use of effective numerical analysis techniques allowed us to investigate the realistic time evolution and behaviour of the acoustic fields associated with this phenomenon. KIEN, an in-house low diffusive URANS code capable of simulating 3D reactive flows, has been used in the Very Rough Grid approach. This approach permits the simulation, with a reasonable computational time, of quite long real transients with a computational domain extended over all the resonant volumes involved in the acoustic phenomenon. The V94.3A gas turbine model was set up with a full combustor 3D grid, going from the compressor outlet up to the turbine inlet, including both the annular plenum and the annular combustion chamber. The grid extends over the entire circular angle, including all the 24 premixed burners. Numerical runs were performed with the normal V94.3A combustor configuration, with input parameters set so as no oscillations develop in the standard ambient conditions. Wide pressure oscillations on the contrary are associated with the circumferential acoustic modes of the combustor, which have their onset and grow when winter ambient conditions are assumed. These results also confirmed that the sustaining mechanism is based on the equivalence ratio fluctuation of premix mixture and that plenum plays an important role in such mechanism. Based on these findings, a system for controlling the thermoacoustic oscillation has been conceived (Patent Pending), which acts on the plenum side of the combustor. This system, called SCAP (Segmentation of Combustor Annular Plenum), is based on the subdivision of the plenum annular volume by means of a few meridionally oriented walls. Repetition of KIEN runs with a SCAP configuration, in which a suitable number of segmentation walls were properly arranged in the annular plenum, demonstrated the effectiveness of this solution in preventing the development of wide thermoacoustic oscillations in the combustor.

scholarly journals Formation of the rare-earth peak: Gaining insight into late-timer-process dynamics

2012 ◽  
Vol 85 (4) ◽  
Author(s):  
Matthew R. Mumpower ◽  
G. C. McLaughlin ◽  
Rebecca Surman
Keyword(s):  
Rare Earth ◽  
Process Dynamics ◽  
Insight Into ◽  
Gaining Insight ◽  
The Rare Earth

scholarly journals Detailed Unsteady Simulation of a Counterrotating Aspirated Compressor with a Focus on the Aspiration Slot and Plenum

2013 ◽  
Vol 2013 ◽  
pp. 1-17 ◽  
Author(s):  
Robert D. Knapke ◽  
Mark G. Turner
Keyword(s):  
Mass Flow ◽  
Solid Wall ◽  
Flow Path ◽  
Computational Domain ◽  
Flow Solver ◽  
Wall Boundary Conditions ◽  
Time Histories ◽  
Unsteady Simulation ◽  
Temporal And Spatial ◽  
Insight Into

An unsteady analysis of the MIT counterrotating aspirated compressor (CRAC) has been conducted using the Numeca FINE/Turbo 3D viscous turbulent flow solver with the Nonlinear Harmonic (NLH) method. All three blade rows plus the aspiration slot and plenum were included in the computational domain. Both adiabatic and isothermal solid wall boundary conditions were applied and simulations with and without aspiration were completed. The aspirated isothermal boundary condition solutions provide the most accurate representation of the trends produced by the experiment, particularly at the endwalls. These simulations provide significant insight into the flow physics of the aspiration flow path. Time histories and spanwise distributions of flow properties in the aspiration slot and plenum present a flow field with significant temporal and spatial variations. In addition, the results provide an understanding of the aspiration flow path choking mechanism that was previously not well understood and is consistent with experimental results. The slot and plenum had been designed to aspirate 1% of the flow path mass flow, whereas the experiment and simulations show that it chokes at about 0.5% mass flow.

Sign in / Sign up

Export Citation Format

Share Document