A. Panda, E.A.J.F. Peters, M.W. Baltussen, J.A.M. Kuipers
{"title":"Fully resolved scalar transport for high Prandtl number flows using adaptive mesh refinement","authors":"A. Panda, E.A.J.F. Peters, M.W. Baltussen, J.A.M. Kuipers","doi":"10.1016/j.cesx.2019.100047","DOIUrl":"10.1016/j.cesx.2019.100047","url":null,"abstract":"<div><p>In multiphase systems, boundary layers occur at fluid-fluid or fluid-solid interfaces. In a direct numerical simulation, the grid requirements are often dictated by the thickness of these boundary layers. Systems that are characterized by high Prandtl (or Schmidt number) exhibit temperature (or mass) boundary layers that are much thinner than the momentum boundary layers. In this paper, a hybrid computational approach is presented that uses a fixed Cartesian grid for the Navier-Stokes and continuity equations and an adaptive mesh for scalar transport, thus reducing the memory and CPU requirements tremendously while resolving all boundary layers. We describe the key aspects that need to be addressed in this hybrid approach, related to discretization, grid mapping, velocity interpolation along with detailed verification tests. Finally, the robustness and accuracy of our hybrid methodology is demonstrated for forced-convection heat transfer over stationary spherical particles at high Prandtl numbers.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"4 ","pages":"Article 100047"},"PeriodicalIF":0.0,"publicationDate":"2019-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100047","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44188522","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hedieh Saffari , Russell M. Condie , Brian R. Watson , Jeffrey J. Krstyen , Kathryn A. Peterson , John M. Hoffman , Gerald J. Gleich , Leonard F. Pease III
{"title":"Biodistribution of orally administered 99mTc-heparin to assess eosinophilic esophagitis associated inflammation","authors":"Hedieh Saffari , Russell M. Condie , Brian R. Watson , Jeffrey J. Krstyen , Kathryn A. Peterson , John M. Hoffman , Gerald J. Gleich , Leonard F. Pease III","doi":"10.1016/j.cesx.2019.100049","DOIUrl":"10.1016/j.cesx.2019.100049","url":null,"abstract":"<div><p>Here we explore the biodistribution of <sup>99m</sup>Tc-heparin, an orally administered radiopharmaceutical candidate expected to identify localized inflammation in eosinophilic esophagitis (EoE). Heparin binds to eosinophil granule proteins in inflamed regions of gastrointestinal (GI) organs, and <sup>99m</sup>Tc signals their location. This article evaluates the biodistribution of this conjugate first within the esophagus by modeling the reactive transport of <sup>99m</sup>Tc-heparin based on the kinetics of <sup>99m</sup>Tc-heparin binding to non-human primate esophagi and second in the remainder of the body by measuring organ specific uptake using single-photon emission computed tomography/computed tomography imaging. Results show that binding and dissociation rate constants remain similar, and that optimal imaging occurs after drinking of the agent is complete. We also find that <sup>99m</sup>Tc-heparin remains within the GI tract simply transporting through the gut and out. These findings provide a new avenue to clinically explore the utility of <sup>99m</sup>Tc-heparin to detect eosinophil associated inflammation in the GI tract.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"4 ","pages":"Article 100049"},"PeriodicalIF":0.0,"publicationDate":"2019-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100049","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48969095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Hopper discharge of elongated particles of varying aspect ratio: Experiments and DEM simulations","authors":"Henna Tangri , Yu Guo , Jennifer S. Curtis","doi":"10.1016/j.cesx.2019.100040","DOIUrl":"10.1016/j.cesx.2019.100040","url":null,"abstract":"<div><p>Steady flow of particulate or granular materials and bulk solids through a hopper plays a critical role in many industrial and process engineering applications. The present work investigates hopper discharge of non-spherical particles, specifically cylindrical particles, from a rectangular hopper. The behavior of steel cylindrical particles with varying aspect ratio (both varying diameter with constant length and varying length with constant diameter) was explored experimentally and via DEM simulations. In addition, the effects of fill height, particle friction, hopper orifice width and hopper cone angle on hopper discharge rate of non-spherical particles were studied via DEM simulations and compared with previously published experimental correlations, experimental results of spherical particles. The results indicate that DEM simulations are fully capable of reproducing trends that are established experimentally. The results with particles of high aspect ratio indicate a different trend than that previously observed with rounded particles. As the fill height increases, the mass discharge rate increases and then asymptotes; further increases in fill height cause a decrease in the mass discharge rate. Further, the effect of particle friction showed a significant influence on the hopper discharge behavior. In addition, a decrease in the hopper angle from 90 degree to critical angle 55 degree decreases the mass discharge rate flow and further decrease in hopper angle increases the discharge rate rapidly.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"4 ","pages":"Article 100040"},"PeriodicalIF":0.0,"publicationDate":"2019-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100040","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44779265","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
T.M. Hoogstad , G. Konings , P.L. Buwalda , A.J.B. Boxtel , L. Kiewidt , J.H. Bitter
{"title":"The effect of polydispersity on the conversion kinetics of starch oxidation and depolymerisation","authors":"T.M. Hoogstad , G. Konings , P.L. Buwalda , A.J.B. Boxtel , L. Kiewidt , J.H. Bitter","doi":"10.1016/j.cesx.2019.100044","DOIUrl":"10.1016/j.cesx.2019.100044","url":null,"abstract":"<div><p>Biobased feedstocks offer a potent source of building blocks for biobased products. However, these feedstocks (e.g. starch, cellulose) are generally highly polydisperse in molecular weight. To study the effect of polydispersity on conversion kinetics, the influence of molecular size on the oxidation and depolymerisation rates of starch was investigated. Kinetic experiments for the homogeneous TEMPO/hypochlorite catalysed oxidation of amylopectins with different molecular sizes showed that large starch molecules oxidise and depolymerise at a higher rate than small molecules. In addition, increasing degrees of oxidation inhibit the rate of further oxidation exponentially. These results demonstrate that polydispersity is an important factor in the conversion of these feedstocks. A model was formulated that assigns individual kinetic parameters to starch fractions of different molecular weight and degree of oxidation. The model predicts 2-D product distributions over molecular weight and degree of oxidation, and predicts asymmetrical distribution shifts as a result of substrate polydispersity.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"4 ","pages":"Article 100044"},"PeriodicalIF":0.0,"publicationDate":"2019-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100044","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43986448","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Omid Arjmandi-Tash, Jonathan D. Tew, Kate Pitt, Rachel Smith, James D. Litster
{"title":"A new mathematical model for nucleation of spherical agglomerates by the immersion mechanism","authors":"Omid Arjmandi-Tash, Jonathan D. Tew, Kate Pitt, Rachel Smith, James D. Litster","doi":"10.1016/j.cesx.2019.100048","DOIUrl":"https://doi.org/10.1016/j.cesx.2019.100048","url":null,"abstract":"<div><p>Initial wetting of crystals by binder droplets is a key rate process in spherical agglomeration, however there are no models to predict the kinetics and formation of agglomerate nuclei. Two new mathematical models are introduced for agglomerate nucleation by an immersion mechanism; immersion rate limited model and collision rate limited model. The <em>agglomerate nucleation number</em> developed in this work predicts different regimes; <em>immersion rate limited</em>, <em>collision rate limited</em> and <em>intermediate</em>. In an immersion rate limited regime, agglomerate size increases with square root of time. In a collision rate limited regime, size increases linearly with time if the bulk crystal volume fraction, <em>φ<sub>Pb</sub></em>, is constant, or with an exponential decay rate for batch crystallisation with decreasing <em>φ<sub>Pb</sub></em>. The timescale for nucleation is less than ten minutes for a broad range of conditions, significantly less than most crystallisation timescales. These models have great promise for population balance modelling and spherical agglomeration optimisation.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"4 ","pages":"Article 100048"},"PeriodicalIF":0.0,"publicationDate":"2019-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100048","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"137389290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M.A. Bucci , A. Di Stazio , C. Chauveau , G. Dayma , G. Legros , P. Dagaut , S. Chibbaro
{"title":"Numerical and experimental analysis of combustion in microchannels with controlled temperature","authors":"M.A. Bucci , A. Di Stazio , C. Chauveau , G. Dayma , G. Legros , P. Dagaut , S. Chibbaro","doi":"10.1016/j.cesx.2019.100034","DOIUrl":"10.1016/j.cesx.2019.100034","url":null,"abstract":"<div><p>This paper reports on joint experimental-numerical investigations of flame dynamics in a microchannel of diameter 1.85 mm. Experiments show that decreasing the diameter of the channel helps the arising of the FREI instability. Yet leaning the mixture is found to be a mean to make the flame more stable. The numerical model used is based on two- dimensional thermo-diffusive equations with one-step chemistry, and it is tested against the experimental results without any calibration. The model turns out to reproduce in a satisfactory manner all the features from a qualitative point of view, and most of them from a quantitative point of view, showing robustness not only with respect to geometry but also to equivalence ratio changes. Nonetheless, while the analysis of frequencies of the FREI instability shows a qualitative agreement, a quantitative discrepancy is unfold. The results suggest that instabilities in microcombustion of CH4/air are fundamentally triggered by hydrodynamics.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"4 ","pages":"Article 100034"},"PeriodicalIF":0.0,"publicationDate":"2019-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100034","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49605643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Influence of gas fraction on wall-to-liquid heat transfer in dense bubbly flows","authors":"A. Panda, Y.E.J. Weitkamp, A.H. Rajkotwala, E.A.J.F. Peters, M.W. Baltussen, J.A.M. Kuipers","doi":"10.1016/j.cesx.2019.100037","DOIUrl":"10.1016/j.cesx.2019.100037","url":null,"abstract":"<div><p>Bubbly flows are used in industrial processes to facilitate efficient mass and heat transfer for gas-liquid contact operations accompanied by chemical transformations, which are often associated with substantial heat liberation due to exothermic reactions. In this paper we study the heat transfer enhancement from a hot wall to bulk liquid, in the presence of bubbles. We use computational fluid dynamics, and specifically apply the local front reconstruction method as interface-tracking method. When a single bubble rises near a wall, the thermal boundary layer is sharpened enhancing heat transfer. This enhancement is initially located near the equator of the bubble, and then shifts to the wake of the bubble. Using stream wise periodic boundary conditions for flow and heat transfer, the wall-to-liquid heat transfer for developed flow conditions is quantified as function of gas fraction. The enhancement is strongly correlated with the relative bubble distance from the wall.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"4 ","pages":"Article 100037"},"PeriodicalIF":0.0,"publicationDate":"2019-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100037","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44625576","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Dynamics and modelling of bubble formation in asymmetric parallel microchannels","authors":"Qiuying Shen , Chong Zhang , Cong Duan, Sheng Mi, Chunying Zhu, Taotao Fu, Youguang Ma","doi":"10.1016/j.cesx.2019.100039","DOIUrl":"10.1016/j.cesx.2019.100039","url":null,"abstract":"<div><p>Dynamics of gas-liquid two-phase flow in parallel microchannels is the bottleneck to be solved during numbering-up. This paper focuses on the stability and distribution of gas-liquid two-phase flow in asymmetric parallel microchannels. Nitrogen and glycerol-water solutions are used as the gas and liquid phases respectively. The stability of bubble formation is better under higher flow rates of gas and liquid phases. When the flow rate ratio of gas and liquid phases is smaller, the uniformity of bubbles is better. The design of cavities in the microchannel degrades stability, while results in better uniformity. The uniformity of the bubble size is the best in the microchannel configuration with both cavities in the front and the rear. The predictive models of the relative deviation <em>E</em>(<em>L</em>), representing the uniformity of bubbles, are proposed according to the principle of conservation of pressure drop and the resistance relationship in the parallel microchannels.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"4 ","pages":"Article 100039"},"PeriodicalIF":0.0,"publicationDate":"2019-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100039","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47771784","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
H.V. Patel , S. Das , J.A.M. Kuipers , E.A.J.F. Peters
{"title":"Direct numerical simulations of water flooding process through digitized porous rocks","authors":"H.V. Patel , S. Das , J.A.M. Kuipers , E.A.J.F. Peters","doi":"10.1016/j.cesx.2019.100041","DOIUrl":"10.1016/j.cesx.2019.100041","url":null,"abstract":"<div><p>Water flooding is a secondary oil recovery process where oil from porous rocks is displaced by high pressure water. In this paper we focus on the direct numerical simulation of multiphase flows through complex solid structures with wettability effects using a coupled immersed boundary and volume of fluid method (IBM-VOF). Our method is tested for a wide range of validation/verification cases. The water flooding process through Fontainebleau sandstone is simulated for porosities between 0.15 and 0.25, at representative pore-scale Reynolds and capillary numbers. First, we quantify the temporal change in oil saturation, phase pressure difference and oil/water interstitial velocities to study the mobility of oil through the rocks. Further, we focus on the oil-water interfacial surface area and the specific length scale to study the growth of viscous fingers inside pores. Finally, we evaluate different energies and dissipation rates to understand the energy exchange encountered in the water flooding process.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"4 ","pages":"Article 100041"},"PeriodicalIF":0.0,"publicationDate":"2019-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100041","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45540611","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
O. Arjmandi-Tash, J. D. Tew, K. Pitt, Rachel M. Smith, J. Litster
{"title":"A new mathematical model for nucleation of spherical agglomerates by the immersion mechanism","authors":"O. Arjmandi-Tash, J. D. Tew, K. Pitt, Rachel M. Smith, J. Litster","doi":"10.1016/j.ces.2019.115258","DOIUrl":"https://doi.org/10.1016/j.ces.2019.115258","url":null,"abstract":"","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.ces.2019.115258","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46328823","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}