{"id":871,"date":"2020-10-17T12:34:06","date_gmt":"2020-10-17T17:34:06","guid":{"rendered":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/?p=871"},"modified":"2020-10-17T12:57:17","modified_gmt":"2020-10-17T17:57:17","slug":"d-weis-p-grohn-m-evers-m-thommes-r-e-garcia-s-antonyuk-implementation-of-formation-mechanisms-in-dem-simulation-of-the-spheronization-process-of-pharmaceutical-pellets-powder-technolog","status":"publish","type":"post","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2020\/10\/17\/d-weis-p-grohn-m-evers-m-thommes-r-e-garcia-s-antonyuk-implementation-of-formation-mechanisms-in-dem-simulation-of-the-spheronization-process-of-pharmaceutical-pellets-powder-technolog\/","title":{"rendered":"D. Weis, P. Grohn, M. Evers, M. Thommes, R.E. Garc\u00eda, S. Antonyuk “Implementation of formation mechanisms in DEM simulation of the spheronization process of pharmaceutical pellets.” Powder Technology 378: 667\u2013679, (2021)."},"content":{"rendered":"

D. Weis, P. Grohn, M. Evers, M. Thommes, R.E. Garc\u00eda, S. Antonyuk “Implementation of formation mechanisms in DEM simulation of the spheronization process of pharmaceutical pellets.<\/em>” Powder Technology<\/strong> 378: 667\u2013679, (2021).\u00a0https:\/\/doi.org\/10.1016\/j.powtec.2020.09.013<\/a><\/p>\n

Abstract<\/h3>\n
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In the production process of pharmaceutical pellets with a narrow size distribution and a high sphericity, a combined extrusion-spheronization technique is frequently used. The rounding of the wet cylindrical extrudates in the spheronizer after the extrusion step is influenced by various interfering mechanisms, in particular plastic de- formation, breakage, attrition and coalescence. Due to the complexity of these mechanisms which depend on the particle dynamics, there is no sufficient description of the particle rounding process in the spheronizer. In this study, the Discrete Element Method (DEM) which runs on the micro scale is coupled with a Particle Shape Evolution (PSE) model on the macro scale to describe how the particle shape changes due to collisions. For the DEM simulation a new contact model was used which was developed to capture the cyclic, dominant visco plastic de- formation behaviour. Based on the DEM collision data, the changing particle shape was described in the PSE model by applying the proposed submodels for the different formation mechanisms. The resulting particle shapes obtained with this simulation framework are in a good agreement with experimental data.<\/p>\n<\/div>\n<\/div>\n<\/div>\n

 <\/p>\n","protected":false},"excerpt":{"rendered":"

D. Weis, P. Grohn, M. Evers, M. Thommes, R.E. Garc\u00eda, S. Antonyuk…<\/p>\n

Continue reading “D. Weis, P. Grohn, M. Evers, M. Thommes, R.E. Garc\u00eda, S. Antonyuk “Implementation of formation mechanisms in DEM simulation of the spheronization process of pharmaceutical pellets.” Powder Technology 378: 667\u2013679, (2021).”<\/span>…<\/a><\/div>\n
Continue reading \"D. Weis, P. Grohn, M. Evers, M. Thommes, R.E. Garc\u00eda, S. Antonyuk “Implementation of formation mechanisms in DEM simulation of the spheronization process of pharmaceutical pellets.” Powder Technology 378: 667\u2013679, (2021).\"<\/span>…<\/a><\/div>","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"advanced_seo_description":"","jetpack_publicize_message":"","jetpack_is_tweetstorm":false,"jetpack_publicize_feature_enabled":true},"categories":[45],"tags":[79,78,14,77,15],"jetpack_publicize_connections":[],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"jetpack_shortlink":"https:\/\/wp.me\/peeeSR-e3","jetpack_likes_enabled":true,"jetpack-related-posts":[{"id":504,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2017\/11\/04\/m-koester-re-garcia-m-thommes-spheronization-process-particle-kinematics-determined-by-discrete-element-simulations-and-particle-image-velocimetry-measurements-international-journal-of-pha\/","url_meta":{"origin":871,"position":0},"title":"M Koester, RE Garc\u00eda, M Thommes “Spheronization process particle kinematics determined by discrete element simulations and particle image velocimetry measurements.”\u00a0International journal of pharmaceutics, 477(1):81-87, 2014.","date":"11\/04\/2017","format":false,"excerpt":"M Koester, RE Garc\u00eda, M Thommes \"Spheronization process particle kinematics determined by discrete element simulations and particle image velocimetry measurements.\"\u00a0International Journal of Pharmaceutics, 477(1):81-87, 2014. Abstract Spheronization is an important pharmaceutical manufacturing technique to produce spherical agglomerates of 0.5\u20132\u00a0mm diameter. These pellets have a narrow size distribution and a spherical\u2026","rel":"","context":"In "Papers"","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":837,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2019\/11\/15\/a-jana-s-i-woo-k-s-n-vikrant-and-r-e-garcia-electrochemomechanics-of-lithium-dendrite-growth-energy-environmental-science-2019\/","url_meta":{"origin":871,"position":1},"title":"A. Jana, S.-I. Woo, K.S.N. Vikrant, and R.E. Garc\u00eda \u00a0“Electrochemomechanics of lithium dendrite growth.”\u00a0Energy & Environmental Science, 12:3595-3607, 2019","date":"11\/15\/2019","format":false,"excerpt":"A. Jana, S.-I. Woo, K.S.N. Vikrant, and R.E. Garc\u00eda \u00a0\"Electrochemomechanics of lithium dendrite growth.\"\u00a0Energy Environ. Sci., 12:\u00a03595-3607, 2019.\u00a0https:\/\/doi.org\/10.1039\/C9EE01864F abstract A comprehensive roadmap describing the current density- and size-dependent dendrite growth mechanisms is presented. Based on a thermodynamically consistent theory, the combined effects of chemical diffusion, electrodeposition, and elastic and plastic\u2026","rel":"","context":"In "Papers"","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":879,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2021\/01\/21\/k-s-n-vikrant-x-l-phuah-j-lund-han-wang-c-s-hellberg-n-bernstein-w-rheinheimer-c-m-bishop-h-wang-and-r-e-garcia-modeling-of-flash-sintering-of-ionic-ceramics-mrs-bulletin-janua\/","url_meta":{"origin":871,"position":2},"title":"K.S.N. Vikrant, X.L. Phuah, J. Lund, Han Wang, C.S. Hellberg, N. Bernstein, W. Rheinheimer, C.M. Bishop, H. Wang, and R.E. Garc\u00eda “Modeling of flash sintering of ionic ceramics.” MRS Bulletin, 46(1):67-75, 2021.","date":"01\/21\/2021","format":false,"excerpt":"K.S.N. Vikrant, X.L. Phuah, J. Lund, Han Wang, C.S. Hellberg, N. Bernstein, W. Rheinheimer, C.M. Bishop, H. Wang, and R.E. Garc\u00eda \"Modeling of flash sintering of ionic ceramics.\" MRS Bulletin, 46(1):67-75, 2021.\u00a0doi:10.1557\/s43577-020-00012-0 abstract A fundamental understanding of the influence of defects in ionic ceramics at the atomic, microstructural, and macroscopic\u2026","rel":"","context":"In "Papers"","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":901,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2021\/08\/07\/o-a-torres-matheus-r-e-garcia-and-c-m-bishop-physics-based-optimization-of-landau-parameters-for-ferroelectrics-application-to-bzt-50bct-modelling-and-simulation-in-materials-science-and\/","url_meta":{"origin":871,"position":3},"title":"O. A. Torres-Matheus, R.E. Garc\u00eda, and C. M. Bishop “Physics-based optimization of Landau parameters for ferroelectrics: application to BZT-50BCT.” Modelling and Simulation in Materials Science and Engineering. 29 075001, 2021.","date":"08\/07\/2021","format":false,"excerpt":"O. A. Torres-Matheus, R.E. Garc\u00eda and C. M. Bishop \"Physics-based optimization of Landau parameters for ferroelectrics: application to BZT-50BCT.\" Modelling and Simulation in Materials Science and Engineering. 29, 075001,. 2021. https:\/\/doi.org\/10.1088\/1361-651X\/ac1a60 Abstract In analogy to thermochemical parameter optimization in the CALculation of PHAse Diagrams (CALPHAD) approach that relies on a\u2026","rel":"","context":"In "Papers"","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":817,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2019\/10\/19\/j-li-j-cho-j-ding-h-charalambous-s-xue-h-wang-x-l-phuah-j-jian-x-wang-c-ophus-t-tsakalakos-r-e-garcia-a-k-mukherjee-n-bernstein-c-s-hellberg-h-wang-x-zhang-nanoscale\/","url_meta":{"origin":871,"position":4},"title":"J. Li, J. Cho, J. Ding, H. Charalambous, S. Xue, H. Wang, X.L. Phuah, J. Jian, X. Wang, C. Ophus, T. Tsakalakos, R.E. Garc\u00eda, A.K. Mukherjee, N. Bernstein, C.S. Hellberg, H. Wang, X. Zhang “Nanoscale stacking fault\u2013assisted room temperature plasticity in flash-sintered TiO2.” Science Advances. 5 (9): eaaw5519, 2019.","date":"10\/19\/2019","format":false,"excerpt":"J. Li, J. Cho, J. Ding, H. Charalambous, S. Xue, H. Wang, X.L. Phuah, J. Jian, X. Wang, C. Ophus, T. Tsakalakos, R.E. Garc\u00eda, A.K. Mukherjee, N. Bernstein, C.S. Hellberg, H. Wang, X. Zhang \"Nanoscale stacking fault\u2013assisted room temperature plasticity in flash-sintered TiO2.\" Science Advances. 5 (9):eaaw5519, 2019;\u00a0https:\/\/advances.sciencemag.org\/content\/5\/9\/eaaw5519?intcmp=trendmd-adv abstract Ceramic\u2026","rel":"","context":"In "Papers"","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":926,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2022\/06\/15\/a-deva-r-e-garcia-apparent-microstructurally-induced-phase-separation-in-porous-lini1-3mn1-3co1-3o2-cathodes-journal-of-power-sources-541-231609-2022\/","url_meta":{"origin":871,"position":5},"title":"A. Deva, R.E. Garc\u00eda “Apparent microstructurally induced phase separation in porous LiNi1\/3Mn1\/3Co1\/3O2 cathodes.” Journal of Power Sources. 541: 231609, 2022.","date":"06\/15\/2022","format":false,"excerpt":"A. Deva, R.E. Garc\u00eda \"Apparent microstructurally induced phase separation in porous LiNi1\/3Mn1\/3Co1\/3O2 cathodes.\" Journal of Power Sources. 541: 231609, 2022. \u00a0https:\/\/doi.org\/10.1016\/j.jpowsour.2022.231609 Abstract A thermodynamically consistent phase field framework is presented to analyze the combined effects of internal grain microstructure and the particle size polydispersity on the microstructural mechanisms that control\u2026","rel":"","context":"In "Papers"","img":{"alt_text":"","src":"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2022\/06\/nmc111BimodalDistribution.jpg?resize=350%2C200&ssl=1","width":350,"height":200},"classes":[]}],"_links":{"self":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/871"}],"collection":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/comments?post=871"}],"version-history":[{"count":1,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/871\/revisions"}],"predecessor-version":[{"id":872,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/871\/revisions\/872"}],"wp:attachment":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/media?parent=871"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/categories?post=871"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/tags?post=871"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}