scholarly journals Prediction of flow effects in quantitative NMR measurements

2021 ◽  
Author(s):  
Anne Friebel ◽  
Thomas Specht ◽  
Erik von Harbou ◽  
Kerstin Münnemann ◽  
Hans Hasse
Keyword(s):  
Transport Model ◽  
Flow Cell ◽  
Quantitative Nmr ◽  
Flow Measurements ◽  
Flowing Liquid ◽  
Flow Cells ◽  
Computational Fluid Dynamics Cfd ◽  
Flow Effects ◽  
Model Fluids ◽  
Good Agreement

A method for the prediction of the magnetization in flow NMR experiments is presented, which can be applied to mixtures. It enables a quantitative evaluation of NMR spectra of flowing liquid samples even in cases in which the magnetization is limited by the flow. A transport model of the nuclei’s magnetization, which is based on the Bloch-equations, is introduced into a computational fluid dynamics (CFD) code. This code predicts the velocity field and relative magnetization of different nuclei for any chosen flow cell geometry, fluid and flow rate. The prediction of relative magnetization is used to correct the observed reduction of signal intensity caused by incomplete premagnetization in fast flowing liquids. By means of the model, quantitative NMR measurements at high flow rates are possible. The method is predictive and enables calculating correction factors for any flow cell design and operating condition based on simple static time measurements. This makes time-consuming calibration measurements for assessing the influence of flow effects obsolete, which otherwise would have to be carried out for each studied condition. The new method is especially interesting for flow measurements with compact medium field NMR spectrometers, which have small premagnetization volumes. In the present work, experiments with three different flow cells in a medium field NMR spectrometer were carried out. Acetonitrile, water, and mixtures of these components were used as model fluids. The experimental results for the magnetization were compared to the predictions from the CFD model and good agreement was observed.

Experimental and Numerical Study of Gas-Liquid Displacements in Flow Cells, With Application to Carbon Dioxide Sequestration in Brine Fields

2002 ◽  
Author(s):  
Duane Smith ◽  
Goodarz Ahmadi ◽  
Chuang Ji ◽  
Grant Bromhal ◽  
Martin V. Ferer
Keyword(s):  
Co2 Sequestration ◽  
Numerical Study ◽  
Carbon Dioxide Sequestration ◽  
Flow Cell ◽  
Immiscible Fluids ◽  
Flow Cells ◽  
Modeling Methods ◽  
Simulation Results ◽  
Fingering Phenomena ◽  
Good Agreement

In this paper experimental and computational modeling methods for studying viscous fingering phenomena occurring during underground CO2 sequestration were developed. In the experiment, the displacement of two immiscible fluids in a lattice-like flow cell was studied. The flow pattern during the displacement was analyzed, and the residual saturation of the displaced fluid was measured. Numerical simulations of the experimental flow cell were performed. The numerical simulation results are compared with the experimental data good agreement was observed.

Ground Flutter Simulation Test Based on Reduced Order Modeling of Aerodynamics by CFD/CSD Coupling Method

2019 ◽  
Vol 11 (01) ◽  
pp. 1950008
Author(s):  
Binwen Wang ◽  
Xueling Fan
Keyword(s):  
Aerodynamic Force ◽  
Test System ◽  
Simulation Test ◽  
Robust Controller ◽  
Test Technique ◽  
Reduced Order ◽  
Aerodynamic Model ◽  
Flutter Boundary ◽  
Computational Fluid Dynamics Cfd ◽  
Good Agreement

Flutter is an aeroelastic phenomenon that may cause severe damage to aircraft. Traditional flutter evaluation methods have many disadvantages (e.g., complex, costly and time-consuming) which could be overcome by ground flutter test technique. In this study, an unsteady aerodynamic model is obtained using computational fluid dynamics (CFD) code according to the procedure of frequency domain aerodynamic calculation. Then, the genetic algorithm (GA) method is adopted to optimize interpolation points for both excitation and response. Furthermore, the minimum-state method is utilized for rational fitting so as to establish an aerodynamic model in time domain. The aerodynamic force is simulated through exciters and the precision of simulation is guaranteed by multi-input and multi-output robust controller. Finally, ground flutter simulation test system is employed to acquire the flutter boundary through response under a range of air speeds. A good agreement is observed for both velocity and frequency of flutter between the test and modeling results.

Mechanism and Flow Control on the Mismatching of Impeller and Vaned Diffuser Caused by Inlet Prewhirl for Centrifugal Compressors

2016 ◽  
Author(s):  
Qiangqiang Huang ◽  
Xinqian Zheng ◽  
Aolin Wang
Keyword(s):  
Flow Control ◽  
Control Method ◽  
Three Dimensional ◽  
Navier Stokes ◽  
Vaned Diffuser ◽  
Inlet Distortion ◽  
Computational Fluid Dynamics Cfd ◽  
Stagger Angle ◽  
Good Agreement ◽  
Matching Relation

Air often flows into compressors with inlet prewhirl, because it will obtain a circumferential component of velocity via inlet distortion or swirl generators such as inlet guide vanes. A lot of research has shown that inlet prewhirl does influence the characteristics of components, but the change of the matching relation between the components caused by inlet prewhirl is still unclear. This paper investigates the influence of inlet prewhirl on the matching of the impeller and the diffuser and proposes a flow control method to cure mismatching. The approach combines steady three-dimensional Reynolds-averaged Navier-Stokes (RANS) simulations with theoretical analysis and modeling. The result shows that a compressor whose impeller and diffuser match well at zero prewhirl will go to mismatching at non-zero prewhirl. The diffuser throat gets too large to match the impeller at positive prewhirl and gets too small for matching at negative prewhirl. The choking mass flow of the impeller is more sensitive to inlet prewhirl than that of the diffuser, which is the main reason for the mismatching. To cure the mismatching via adjusting the diffuser vanes stagger angle, a one-dimensional method based on incidence matching has been proposed to yield a control schedule for adjusting the diffuser. The optimal stagger angle predicted by analytical method has good agreement with that predicted by computational fluid dynamics (CFD). The compressor is able to operate efficiently in a much broader flow range with the control schedule. The flow range, where the efficiency is above 80%, of the datum compressor and the compressor only employing inlet prewhirl and no control are just 25.3% and 31.8%, respectively. For the compressor following the control schedule, the flow range is improved up to 46.5%. This paper also provides the perspective of components matching to think about inlet distortion.

An anti-crystallization design of selective catalytic reduction nozzle holder

2021 ◽  
pp. 095440702097084
Author(s):  
Dewen Liu ◽  
Kai Lu ◽  
Shusen Liu ◽  
Yan Wu ◽  
Shuzhan Bai
Keyword(s):  
Selective Catalytic Reduction ◽  
Catalytic Reduction ◽  
Injection System ◽  
Test Results ◽  
Verification Methods ◽  
Crystallization Risk ◽  
Protective Cover ◽  
Computational Fluid Dynamics Cfd ◽  
Cfd Method ◽  
Good Agreement

From the aspect of reducing the risk of crystallization on nozzle surface, a new design of nozzle protective cover was to solve the problem in selective catalytic reduction (SCR) urea injection system. The simulation calculation and experimental verification methods were used to compare different schemes. The results show that reducing the height of nozzle holder can reduce the vortex currents near nozzle surface and effectively reduce the risk of crystallization on the nozzle surface. It is proposed to install a protective cover in the nozzle holder under the scheme of reducing the height of nozzle holder, which can further eliminate the vortex. Simulation and test results demonstrate good agreement under the rated running condition. The scheme of adding a protective cover in the nozzle holder shows the least crystallization risk by computational fluid dynamics (CFD) method. The crystallization cycle test shows that, after the height of nozzle holder is reduced, the risk of crystallization on the nozzle surface is reduced correspondingly. The addition of a protective cover in the nozzle holder solves the problem of crystallization on the nozzle surface, which provides a new method for anti-crystallization design.

scholarly journals Inverse modelling of CF<sub>4</sub> and NF<sub>3</sub> emissions in East Asia

2018 ◽  
Vol 18 (18) ◽  
pp. 13305-13320 ◽  
Author(s):  
Tim Arnold ◽  
Alistair J. Manning ◽  
Jooil Kim ◽  
Shanlan Li ◽  
Helen Webster ◽  
...  
Keyword(s):  
South Korea ◽  
East Asia ◽  
Transport Model ◽  
Atmospheric Transport ◽  
Atmospheric Gases ◽  
Atmospheric Measurements ◽  
Small Uncertainty ◽  
Measurement Location ◽  
Atmospheric Transport Model ◽  
Good Agreement

Abstract. Decadal trends in the atmospheric abundances of carbon tetrafluoride (CF4) and nitrogen trifluoride (NF3) have been well characterised and have provided a time series of global total emissions. Information on locations of emissions contributing to the global total, however, is currently poor. We use a unique set of measurements between 2008 and 2015 from the Gosan station, Jeju Island, South Korea (part of the Advanced Global Atmospheric Gases Experiment network), together with an atmospheric transport model, to make spatially disaggregated emission estimates of these gases in East Asia. Due to the poor availability of good prior information for this study, our emission estimates are largely influenced by the atmospheric measurements. Notably, we are able to highlight emission hotspots of NF3 and CF4 in South Korea due to the measurement location. We calculate emissions of CF4 to be quite constant between the years 2008 and 2015 for both China and South Korea, with 2015 emissions calculated at 4.3±2.7 and 0.36±0.11 Gg yr−1, respectively. Emission estimates of NF3 from South Korea could be made with relatively small uncertainty at 0.6±0.07 Gg yr−1 in 2015, which equates to ∼1.6 % of the country's CO2 emissions. We also apply our method to calculate emissions of CHF3 (HFC-23) between 2008 and 2012, for which our results find good agreement with other studies and which helps support our choice in methodology for CF4 and NF3.

scholarly journals Validation of nine years of MOPITT V5 NIR using MOZAIC/IAGOS measurements: biases and long-term stability

2014 ◽  
Vol 7 (11) ◽  
pp. 3783-3799 ◽  
Author(s):  
A. T. J. de Laat ◽  
I. Aben ◽  
M. Deeter ◽  
P. Nédélec ◽  
H. Eskes ◽  
...  
Keyword(s):  
Near Infrared ◽  
Transport Model ◽  
A Priori ◽  
Validation Data ◽  
Chemistry Transport Model ◽  
Large Variability ◽  
Long Term Stability ◽  
Spatio Temporal ◽  
Good Agreement

Abstract. Validation results from a comparison between Measurement Of Pollution In The Troposphere (MOPITT) V5 Near InfraRed (NIR) carbon monoxide (CO) total column measurements and Measurement of Ozone and Water Vapour on Airbus in-service Aircraft (MOZAIC)/In-Service Aircraft for a Global Observing System (IAGOS) aircraft measurements are presented. A good agreement is found between MOPITT and MOZAIC/IAGOS measurements, consistent with results from earlier studies using different validation data and despite large variability in MOPITT CO total columns along the spatial footprint of the MOZAIC/IAGOS measurements. Validation results improve when taking the large spatial footprint of the MOZAIC/IAGOS data into account. No statistically significant drift was detected in the validation results over the period 2002–2010 at global, continental and local (airport) scales. Furthermore, for those situations where MOZAIC/IAGOS measurements differed from the MOPITT a priori, the MOPITT measurements clearly outperformed the MOPITT a priori data, indicating that MOPITT NIR retrievals add value to the MOPITT a priori. Results from a high spatial resolution simulation of the chemistry-transport model MOCAGE (MOdèle de Chimie Atmosphérique à Grande Echelle) showed that the most likely explanation for the large MOPITT variability along the MOZAIC-IAGOS profile flight path is related to spatio-temporal CO variability, which should be kept in mind when using MOZAIC/IAGOS profile measurements for validating satellite nadir observations.

scholarly journals Rapid pivot feeding in pipefish: flow effects on prey and evaluation of simple dynamic modelling via computational fluid dynamics

2008 ◽  
Vol 5 (28) ◽  
pp. 1291-1301 ◽  
Author(s):  
Sam Van Wassenbergh ◽  
Peter Aerts
Keyword(s):  
Fluid Dynamics ◽  
Computational Fluid Dynamics ◽  
Analytical Model ◽  
Dynamic Modelling ◽  
Head Rotation ◽  
Theoretical Models ◽  
Cfd Simulations ◽  
Deceleration Phase ◽  
Computational Fluid Dynamics Cfd ◽  
Flow Effects

Most theoretical models of unsteady aquatic movement in organisms assume that including steady-state drag force and added mass approximates the hydrodynamic force exerted on an organism's body. However, animals often perform explosively quick movements where high accelerations are realized in a few milliseconds and are followed closely by rapid decelerations. For such highly unsteady movements, the accuracy of this modelling approach may be limited. This type of movement can be found during pivot feeding in pipefish that abruptly rotate their head and snout towards prey. We used computational fluid dynamics (CFD) to validate a simple analytical model of cranial rotation in pipefish. CFD simulations also allowed us to assess prey displacement by head rotation. CFD showed that the analytical model accurately calculates the forces exerted on the pipefish. Although the initial phase of acceleration changes the flow patterns during the subsequent deceleration phase, the accuracy of the analytical model was not reduced during this deceleration phase. Our analysis also showed that prey are left approximately stationary despite the quickly approaching pipefish snout. This suggests that pivot-feeding fish need little or no suction to compensate for the effects of the flow induced by cranial rotation.

scholarly journals Analysis of a Regional Scale Chemical-Transport Model to Investigate the Potential Capability of Satellites for Identifying a Widespread Air Pollution Event

2017 ◽  
Author(s):  
Jason Welsh ◽  
Jack Fishman
Keyword(s):  
Transport Model ◽  
Regional Scale ◽  
Ozone Production ◽  
Metropolitan Region ◽  
Trace Gas ◽  
Chemical Transport Model ◽  
Satellite Measurements ◽  
Pollution Event ◽  
Surface O3 ◽  
Good Agreement

We use a regional scale photochemical transport model to investigate the surface concentrations and column integrated amounts of ozone (O3) and nitrogen dioxide (NO2) during a pollution event that occurred in the St. Louis metropolitan region in 2012. These trace gases will be two of the primary constituents that will be measured by TEMPO, an instrument on a geostationary platform, which will result in a dataset that has hourly temporal resolution during the daytime and ~4 km spatial resolution. Although air quality managers are most concerned with surface concentrations, satellite measurements provide a quantity that reflects a column amount, which may or may not be directly relatable to what is measured at the surface. The model results provide good agreement with observed surface O3 concentrations, which is the only trace gas dataset that can be used for verification. The model shows that a plume of O3 extends downwind from St. Louis and contains an integrated amount of ozone of ~ 16 DU (1 DU = 2.69 x 1016 mol. cm-2), a quantity that is two to three times lower than what was observed by satellite measurements during two massive pollution episodes in the 1980s. Based on the smaller isolatable emissions coming from St. Louis, this quantity is not unreasonable, but may also reflect the reduction of photochemical ozone production due to the implementation of emission controls that have gone into effect in the past few decades.

scholarly journals Ethane, ethyne and carbon monoxide concentrations in the upper troposphere and lower stratosphere from ACE and GEOS-Chem: a comparison study

2011 ◽  
Vol 11 (4) ◽  
pp. 13099-13139 ◽  
Author(s):  
G. González Abad ◽  
N. D. C. Allen ◽  
P. F. Bernath ◽  
C. D. Boone ◽  
S. D. McLeod ◽  
...  
Keyword(s):  
Carbon Monoxide ◽  
Atmospheric Chemistry ◽  
Transport Model ◽  
Chemical Mechanism ◽  
Chemical Transport Model ◽  
Spectrometer Data ◽  
Chemistry Experiment ◽  
Global Mean ◽  
Tropospheric Concentrations ◽  
Good Agreement

Abstract. Near global upper tropospheric concentrations of carbon monoxide (CO), ethane (C2H6) and ethyne (C2H2) from ACE (Atmospheric Chemistry Experiment) Fourier transform spectrometer on board the Canadian satellite SCISAT-1 are presented and compared with the output from the Chemical Transport Model (CTM) GEOS-Chem. The retrievals of ethane and ethyne from ACE have been improved for this paper by using new sets of microwindows compared with those for previous versions of ACE data. With the improved ethyne retrieval we have been able to produce a near global upper tropospheric distribution of C2H2 from space. Carbon monoxide, ethane and ethyne concentrations retrieved using ACE spectra show the expected seasonality linked to variations in the anthropogenic emissions and destruction rates as well as seasonal biomass burning activity. The GEOS-Chem model was run using the dicarbonyl chemistry suite, an extended chemical mechanism in which ethyne is treated explicitly. Seasonal cycles observed from satellite data are well reproduced by the model output, however the simulated CO concentrations are found to be systematically biased low over the Northern Hemisphere. An average negative global mean bias of 12% and 7% of the model relative to the satellite observations has been found for CO and C2H6 respectively and a positive global mean bias of 1% has been found for C2H2. ACE data are compared for validation purposes with MkIV spectrometer data and Global Tropospheric Experiment (GTE) TRACE-A campaign data showing good agreement with all of them.

scholarly journals Nanopore Sequencing of a Forensic STR Multiplex Reveals Loci Suitable for Single-Contributor STR Profiling

Genes ◽  
2020 ◽  
Vol 11 (4) ◽  
pp. 381 ◽  
Author(s):  
Olivier Tytgat ◽  
Yannick Gansemans ◽  
Jana Weymaere ◽  
Kaat Rubben ◽  
Dieter Deforce ◽  
...  
Keyword(s):  
Tandem Repeats ◽  
Massively Parallel Sequencing ◽  
Flow Cell ◽  
Nanopore Sequencing ◽  
Flow Cells ◽  
Pattern Complexity ◽  
Str Loci ◽  
Oxford Nanopore ◽  
Oxford Nanopore Technologies ◽  
Short Tandem

Nanopore sequencing for forensic short tandem repeats (STR) genotyping comes with the advantages associated with massively parallel sequencing (MPS) without the need for a high up-front device cost, but genotyping is inaccurate, partially due to the occurrence of homopolymers in STR loci. The goal of this study was to apply the latest progress in nanopore sequencing by Oxford Nanopore Technologies in the field of STR genotyping. The experiments were performed using the state of the art R9.4 flow cell and the most recent R10 flow cell, which was specifically designed to improve consensus accuracy of homopolymers. Two single-contributor samples and one mixture sample were genotyped using Illumina sequencing, Nanopore R9.4 sequencing, and Nanopore R10 sequencing. The accuracy of genotyping was comparable for both types of flow cells, although the R10 flow cell provided improved data quality for loci characterized by the presence of homopolymers. We identify locus-dependent characteristics hindering accurate STR genotyping, providing insights for the design of a panel of STR loci suited for nanopore sequencing. Repeat number, the number of different reference alleles for the locus, repeat pattern complexity, flanking region complexity, and the presence of homopolymers are identified as unfavorable locus characteristics. For single-contributor samples and for a limited set of the commonly used STR loci, nanopore sequencing could be applied. However, the technology is not mature enough yet for implementation in routine forensic workflows.

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