scholarly journals Designed ONE-FLOW System for the Synthesis of Rufinamide

2021 ◽  
Author(s):  
Chenyue Zhang ◽  
Teresa de Martino ◽  
Victor Bloemendal ◽  
Floris Rutjes ◽  
Can Jin ◽  
...  
Keyword(s):  
Packed Bed ◽  
Microfluidic System ◽  
Metal Catalyst ◽  
Phase Reaction ◽  
Hydrophobic Membrane ◽  
Flow Process ◽  
Thermally Induced ◽  
Product Separation ◽  
Combined Simulation ◽  
Set Up

A nano-compartmentalized one-solvent (ONE-FLOW) procedure was developed for the two-step synthesis of Rufinamide, employing a combined simulation and experimental approach. Computer-aided solvent selection was combined with reagent/catalyst compartmentalization in a continuous flow set-up. The synthetic route encompassed azidation of benzyl chloride, followed by a Cu-catalyzed azide alkyne cycloaddition (CuAAC) reaction. A functional solvent was chosen via a COSMO-RS based method, which allowed a one-phase reaction while facilitating a thermally induced final product separation from the reaction mixture. To perform azidation and CuAAC reactions in a microfluidic system, both azidation reagent and Cu(I) catalyst were immobilized, on a packed bed and in the hydrophobic membrane of polymer vesicles, respectively, as this allowed a higher reaction efficiency, facile regeneration of azidation reagent, and recovery of the metal catalyst. This ONE-FLOW process has great benefits for the pharmaceutical industry in their quest to scalable, efficient and safe synthetic processes with minimal waste generation.

scholarly journals Intra-catchment variability of surface saturation – insights from physically based simulations in comparison with biweekly thermal infrared image observations

2020 ◽  
Vol 24 (3) ◽  
pp. 1393-1413 ◽  
Author(s):  
Barbara Glaser ◽  
Marta Antonelli ◽  
Luisa Hopp ◽  
Julian Klaus
Keyword(s):  
Infrared Image ◽  
Thermal Infrared ◽  
Riparian Areas ◽  
Physically Based ◽  
Simulated Surface ◽  
Surface Saturation ◽  
Spatio Temporal ◽  
Combined Simulation ◽  
Set Up ◽  
Topographic Depressions

Abstract. In this study, we explored the spatio-temporal variability of surface saturation within a forested headwater catchment using a combined simulation–observation approach. We simulated the occurrence of surface saturation in the Weierbach catchment (Luxembourg) with the physically based model HydroGeoSphere. We confronted the simulation with thermal infrared images that we acquired during a 2-year mapping campaign for seven distinct riparian areas with weekly to biweekly recurrence frequency. Observations and simulations showed similar saturation dynamics across the catchment. The observed and simulated relation of surface saturation to catchment discharge resembled a power law relationship for all investigated riparian areas but varied to a similar extent, as previously observed between catchments of different morphological and topographical characteristics. The observed spatial patterns and frequencies of surface saturation varied between and within the investigated areas and the model reproduced these spatial variations well. The good performance of the simulation suggested that surface saturation in the Weierbach catchment is largely controlled by exfiltration of groundwater into local topographic depressions. However, the simulated surface saturation contracted faster than observed, the simulated saturation dynamics were less variable between the investigated areas than observed, and the match of simulated and observed saturation patterns was not equally good in all investigated riparian areas. These mismatches between observations and simulation highlight that the intra-catchment variability of surface saturation must also result from factors that were not considered in the model set-up, such as differing subsurface structures or a differing persistence of surface saturation due to local morphological features like perennial springs.

Development of Hydrophobic Microporous Isotactic Polypropylene Membrane for Membrane Contactor Application

2015 ◽  
Vol 1113 ◽  
pp. 36-42
Author(s):  
Wan Jusoh Wan Zulaisa Amira ◽  
Abdul Rahman Sunarti
Keyword(s):  
Isotactic Polypropylene ◽  
Test System ◽  
Membrane Contactor ◽  
Thermally Induced Phase Separation ◽  
Hydrophobic Membrane ◽  
Operating Period ◽  
Thermally Induced ◽  
Polypropylene Membrane ◽  
Membrane Fabrication ◽  
Contact Instrument

Membrane Contactor (MC) is a well-known membrane technology to provide significant advantages required by industries. For MC, a hydrophobic membrane required as a barrier so that liquid absorbent and flue gaseous do not disperse with one another. However, the major concern in hydrophobic membrane is getting swelling by liquid after a short operating period. To minimize the swelling, this study focused on the exploration on membrane fabrication by Thermally Induced Phase Separation (TIPS). As the immersion in solvents is one of the important step to extract the diluent from membranes pores, the effect of the immersion in methanol was studied. The productions of hydrophobic microporous flat sheets were accomplished by using isotactic Polypropylene (iPP) and two type diluents: Dipenyl Ether (DPE) and Methyl Salicylate (MS). The measurement of hydophobicity of membranes produced was conducted by Test System of JY-82 Video Contact Instrument. Membranes produced were characterized by Scanning Electron Microscopy (SEM) and Fourier Transform Infrared Spectroscopy (FTIR). The highest hydrophobicity obtained were 124°(three hours immersed in methanol) and 107° (two hours immersed in methanol) by DPE and MS respectively. All membranes show spherical pores, indicating that membranes were formed via liquid-liquid TIPS and strong bond alkane group by Infrared (IR) spectras show that the membranes produce did not change when undergo TIPS process.

scholarly journals The Effect of External Geometry Factors on the Characteristics of Flow Profiles and Segregation in a Vertical Sinter Cooling Bed

Energies ◽  
2020 ◽  
Vol 13 (22) ◽  
pp. 5964
Author(s):  
Junpeng Fu ◽  
Jiuju Cai
Keyword(s):  
Flow Pattern ◽  
Structural Parameters ◽  
Packed Bed ◽  
Flow Patterns ◽  
Particle Flow ◽  
Size Segregation ◽  
Flow Process ◽  
Segregation Index ◽  
Smooth Flow ◽  
Flow Profiles

Good particle flow patterns and uniform particle velocity distributions enhance the performance of heat transfer and smooth flow processes in vertical sinter cooling beds (VSCBs). The effect of three typical geometries, conical, curved and rectangular, on the performance of flow profiles and segregation in a VSCB is investigated comparatively and quantitatively based on the discrete element method (DEM). The evolution of flow profiles and particle segregation directly influence the evenly distributed sinter layers and the efficiency of heat exchange in VSCBs. In this research, a 3D packed bed model is established for the three geometry types to quantitatively and qualitatively investigate the influence of structural parameters on the evolution of flow patterns and segregation. The comparison of the effect of the three geometry types on the particle flow process showed that the curved geometry types greatly improve the performance of the flow pattern and size segregation. The height of the mass flow pattern for the curved geometry varies with the structural parameters by 1.5-fold that of the flow pattern for the other two geometry types. The curved geometry dramatically reduces the magnitude of the segregation index (SI) near the sidewall, while this magnitude fluctuates near 1.0 in the central flow passage of the VSCB.

An automated microfluidic system for the investigation of asphaltene deposition and dissolution in porous media

Lab on a Chip ◽  
2019 ◽  
Vol 19 (21) ◽  
pp. 3628-3640 ◽  
Author(s):  
Weiqi Chen ◽  
Tony Guo ◽  
Yogesh Kapoor ◽  
Christopher Russell ◽  
Priyanka Juyal ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Porous Media ◽  
Self Assembly ◽  
Packed Bed ◽  
Microfluidic System ◽  
The Self ◽  
Asphaltene Deposition

Design of an automated packed-bed microfluidic system with in situ Raman spectroscopy to better understand the self-assembly of asphaltenes in porous media.

Numerical Simulation of Accident Scenario in High Temperature Gas Cooled (Pebble Bed) Nuclear Reactors

2012 ◽  
Author(s):  
Geoffrey J. Peter
Keyword(s):  
Numerical Simulation ◽  
High Temperature ◽  
Boundary Conditions ◽  
Nuclear Reactors ◽  
Numerical Study ◽  
Packed Bed ◽  
Pebble Bed ◽  
Accident Scenario ◽  
Set Up ◽  
High Temperature Gas

The accident scenario resulting from blockages due to the retention of dust in the coolant gas or from the rupture of one or more fuel particles used in the High Temperature Gas Cooled (Pebble Bed) Nuclear Reactors considered for the next generation of Advanced High Temperature Reactors (AHTR), for nuclear power production, and for high-temperature hydrogen production using nuclear reactors to reduce the carbon footprint is examined in this paper. Blockages can cause local variations in flow and heat transfer that may lead to hot spots within the bed that could compromise reactor safety. Therefore, it is important to know the void fraction distribution and the interstitial velocity field in the packed bed. The blockage for this numerical study simulated a region with significantly lower void than that in the rest of the bed. Finite difference technique solved the simplified continuity, momentum, and energy equations. Any meaningful outcome of the solution depended largely upon the validity of the boundary conditions. Among them, the inlet and outlet velocity profiles required special attention. Thus, a close approximation to these profiles obtained from an experimental set-up established the boundary conditions. This paper presents the development of the elliptic-partial differential equation for a bed of pebbles, and the solution procedure. The paper also discusses velocity and temperature profiles obtained from both numerical and experimental setup, with and without effect of blockage. In addition, the paper compares the results obtained from the experimental set-up with numerical simulation using a commercially available code that uses finite element techniques.

Comparison of particulate pyrite autotrophic denitrification (PPAD) and sulfur oxidizing denitrification (SOD) for treatment of nitrified wastewater

2016 ◽  
Vol 75 (1) ◽  
pp. 239-246 ◽  
Author(s):  
Shuang Tong ◽  
Laura C. Rodriguez-Gonzalez ◽  
Chuanping Feng ◽  
Sarina J. Ergas
Keyword(s):  
Packed Bed ◽  
Product Formation ◽  
Electron Donors ◽  
Autotrophic Denitrification ◽  
Reduced Sulfur Compounds ◽  
N Removal ◽  
Sulfur Oxidizing ◽  
Reduced Sulfur ◽  
Carry Over ◽  
Set Up

The use of reduced sulfur compounds as electron donors for biological denitrification has the potential to reduce chemical and sludge disposal costs as well as carry-over of organic carbon to the effluent that often occurs with heterotrophic denitrification. Although a number of prior studies have evaluated sulfur oxidizing denitrification (SOD), no prior studies have evaluated particulate pyrite autotrophic denitrification (PPAD) in continuous flow systems. Bench-scale upflow packed bed reactors (PBRs) were set up to compare denitrification rates, by-product production and alkalinity consumption of PPAD and SOD. At an empty bed contact time of 2.9 h, average NO3−-N removal efficiencies were 39.7% and 99.9% for PPAD and SOD, respectively. Although lower denitrification rates were observed with PPAD than SOD, lower alkalinity consumption and reduced sulfur by-product formation (SO42−, S2− and SO32− plus S2O32−) were observed with PPAD. Furthermore, higher denitrification rates and lower by-product production was observed for SOD than in prior studies, possibly due to the media composition, which included sand and oyster shells. The results show that both pyrite and elemental sulfur can be used as electron donors for wastewater denitrification in PBRs.

Oxidation of tritium in packed bed of noble metal catalyst for detritiation from system gases

1985 ◽  
Vol 135 (1) ◽  
pp. 1-10 ◽  
Author(s):  
Masabumi Nishikawa ◽  
Toshiharu Takeishi ◽  
Kenzo Munakata ◽  
Kenji Kotoh ◽  
Mikio Enoeda
Keyword(s):  
Noble Metal ◽  
Packed Bed ◽  
Metal Catalyst ◽  
Noble Metal Catalyst

Measurement of Thermally Induced Loads in Back-to-Back Angular Contact Spindle Bearings Using Strain Gauges

2004 ◽  
Author(s):  
John E. Harder ◽  
Jeffrey L. Stein
Keyword(s):  
Metal Cutting ◽  
Strain Gauges ◽  
Future Research ◽  
Axial Loads ◽  
Thermally Induced ◽  
Outer Race ◽  
Repeatability Error ◽  
Bearing Load ◽  
Bearing Loads ◽  
Set Up

Thermally induced bearing loads can potentially create serious problems for metal cutting spindles when used at high speeds. Proper spindle bearing set-up can minimize, but cannot eliminate this problem. Measuring the thermally induced load can alert the user to a potential problem or can be used to control the load directly. The purpose of this paper is to describe the design of a thermally induced bearing load sensor using strain gauges placed around the outer race. A box spindle with strain gauges on a pair of angular contact ball bearings located in the front of the spindle is used in this analysis. In order to calculate the thermally induced bearing load, the outputs of the strain gauges were recorded over a one second interval, sampled at 7500 Hz from each strain gauge and the root mean square of the deviation of this data from its mean is calculated. This value is a measure of the ball load. This calculated output is calibrated by a quadratic regression of these data to applied axial loads over a range of 0 to 2800 N. Values for each bearing were averaged to yield a front and rear value. The repeatability error for the front bearing sensor is 1.36%, and its accuracy is 98.9%. The repeatability error for the rear bearing sensor is 2.17% and its accuracy is 98.3%. These relatively low repeatability errors are attributable in part to filtering that does reduce the sensors’ bandwidth, but not significantly for measuring the relatively slowly changing thermally induced loads. Sensor design improvements and potential avenues of future research are discussed.

Solid-Phase Reaction of Tungsten Thin Films with Polycrystalline Diamond

1994 ◽  
Vol 339 ◽  
Author(s):  
A. Bachli ◽  
J. S. Chen ◽  
R. P. Ruiz ◽  
M-A. Nicolet
Keyword(s):  
Solid Phase ◽  
Polycrystalline Diamond ◽  
Solid Phase Reaction ◽  
Phase Reaction ◽  
X Ray Diffraction ◽  
Final State ◽  
Thermally Induced ◽  
X Ray ◽  
Sputter Deposited ◽  
Scanning Electron

ABSTRACTThe thermally induced solid-phase reaction of 135 nm thick sputter-deposited W films with polycrystalline CVD-grown diamond substrates is investigated. The samples are annealed in vacuum (5×10/-7 torr) at temperatures between 700 °C and 1100 °C for 1 hour and examined by 2 MeV 4He++ backscattering spectrometry, x-ray diffraction, and scanning electron microscopy.The as-deposited W films contain roughly 5 at.% oxygen. After annealing the samples at 800 °C this oxygen concentration falls below the detection limit of less than 1 %. Incipient W2C phase formation occurs during annealing at 900 °C. The final state, the WC phase, is reached after annealing at 1100 °C.

scholarly journals Generation of Cobalt-Containing Nanoparticles on Carbon via Pyrolysis of a Cobalt Corrole and Its Application in the Hydrogenation of Nitroarenes

Catalysts ◽  
2021 ◽  
Vol 12 (1) ◽  
pp. 11
Author(s):  
Jessica Michalke ◽  
Michael Haas ◽  
Dominik Krisch ◽  
Thomas Bögl ◽  
Stephan Bartling ◽  
...  
Keyword(s):  
State Of The Art ◽  
Active Material ◽  
Metal Catalyst ◽  
Noble Metal Catalyst ◽  
Wet Impregnation ◽  
Laboratory Bench ◽  
Gas Atmosphere ◽  
Set Up ◽  
Heterogeneous Hydrogenation ◽  
User Friendly

We report on the manufacture of a state-of-the-art heterogeneous non-noble metal catalyst, which is based on a molecularly well-defined phosphine-tagged cobalt corrole complex. This precursor compound is readily synthesized from convenient starting materials while the active material is obtained through wet-impregnation of the pertinent metalliferous macrocycle onto carbon black followed by controlled pyrolysis of the loaded carrier material under an inert gas atmosphere. Thus, the obtained composite was then applied in the heterogeneous hydrogenation of various nitroarenes to yield a vast array of valuable aniline derivatives that were conveniently isolated as their hydrochloride salts. The introduced catalytic protocol is robust and user-friendly with the entire assembly of the reaction set-up enabling the conduction of the experiments on the laboratory bench without any protection from air.

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