{"id":6995,"date":"2025-10-16T15:24:41","date_gmt":"2025-10-16T15:24:41","guid":{"rendered":"https:\/\/aurora-heu.eu\/?p=6995"},"modified":"2025-10-16T15:25:40","modified_gmt":"2025-10-16T15:25:40","slug":"publication-development-of-a-validated-rate-based-model","status":"publish","type":"post","link":"https:\/\/aurora-heu.eu\/el\/2025\/10\/16\/publication-development-of-a-validated-rate-based-model\/","title":{"rendered":"Publication &#8211; Development of a Validated Rate-Based Model"},"content":{"rendered":"<p>[et_pb_section fb_built=&#8221;1&#8243; _builder_version=&#8221;4.26.1&#8243; _module_preset=&#8221;default&#8221; background_enable_color=&#8221;off&#8221; custom_padding=&#8221;2px||5px|||&#8221; global_colors_info=&#8221;{}&#8221; theme_builder_area=&#8221;post_content&#8221;][et_pb_row _builder_version=&#8221;4.21.0&#8243; _module_preset=&#8221;default&#8221; width=&#8221;80%&#8221; custom_padding=&#8221;||2px|||&#8221; global_colors_info=&#8221;{}&#8221; theme_builder_area=&#8221;post_content&#8221;][et_pb_column type=&#8221;4_4&#8243; _builder_version=&#8221;4.21.0&#8243; _module_preset=&#8221;default&#8221; global_colors_info=&#8221;{}&#8221; theme_builder_area=&#8221;post_content&#8221;][et_pb_text _builder_version=&#8221;4.27.4&#8243; _module_preset=&#8221;default&#8221; hover_enabled=&#8221;0&#8243; global_colors_info=&#8221;{}&#8221; theme_builder_area=&#8221;post_content&#8221; sticky_enabled=&#8221;0&#8243;]<\/p>\n<h3 style=\"text-align: justify;\">Abstract<\/h3>\n<p style=\"text-align: justify;\">In this work, we developed a new e-NRTL thermodynamic framework for CO2 absorption in aqueous mixtures of 2-amino-2-methyl-1-propanol (AMP) and piperazine (PZ) in Aspen Plus. The e-NRTL AMP\/PZ\/H2O\/CO2 model was fitted on experimental data covering a range of AMP concentration from 12 to 48 mass % and PZ concentration from 2 to 26 mass %, temperature from 20 to 160 \u00b0C and CO2 loading from 0 to 1.03 \ud835\udc5a\ud835\udc5c\ud835\udc59\ud835\udc36\ud835\udc422\/\ud835\udc5a\ud835\udc5c\ud835\udc59\ud835\udc34\ud835\udc40\ud835\udc43+\ud835\udc5a\ud835\udc5c\ud835\udc59\ud835\udc43\ud835\udc4d. The model predicts the CO2 solubility, as partial pressure of CO2, over aqueous AMP\/PZ solutions within an absolute average relative deviation (AARD) of 26.3%, the total pressure of the system with an AARD value of 7.0%, the heat of absorption of CO2 with an AARD value of 10.2%, and the estimated free CO2 concentration with an AARD value of 13.1%. The model gives a good representation of liquid speciation as a function of the CO2 loading and amine concentration. The model shows good predictions of the CO2 solubility over aqueous AMP\/PZ solutions at relevant absorber, stripper and water wash amine concentrations and temperatures. The developed e-NRTL model, in combination with mass transfer and CO2 absorption kinetics modeling, is validated with two pilot campaigns: one at the University of Kaiserslautern and one at the Technology Centre of Mongstad. The developed rate-based model predicts the CO2 capture, rich loading, and specific reboiler duty within 5% absolute average relative deviation.<\/p>\n<p style=\"text-align: justify;\"><em><span style=\"text-decoration: underline;\">Authors<\/span>: Diego Morlando, Ying Zhang,\u00a0 Shu Wang, Hanna K. Knuutila.<\/em><\/p>\n<p>[\/et_pb_text][et_pb_button button_url=&#8221;https:\/\/pubs.acs.org\/doi\/10.1021\/acs.energyfuels.5c03281&#8243; url_new_window=&#8221;on&#8221; button_text=&#8221;Read full publication&#8221; _builder_version=&#8221;4.27.4&#8243; _module_preset=&#8221;default&#8221; button_bg_color=&#8221;#63afb0&#8243; button_border_radius=&#8221;43px&#8221; button_on_hover=&#8221;off&#8221; hover_enabled=&#8221;0&#8243; global_colors_info=&#8221;{}&#8221; theme_builder_area=&#8221;post_content&#8221; sticky_enabled=&#8221;0&#8243;][\/et_pb_button][\/et_pb_column][\/et_pb_row][\/et_pb_section][et_pb_section fb_built=&#8221;1&#8243; _builder_version=&#8221;4.24.0&#8243; _module_preset=&#8221;default&#8221; custom_padding=&#8221;0px||0px||true|&#8221; locked=&#8221;off&#8221; global_colors_info=&#8221;{}&#8221; theme_builder_area=&#8221;post_content&#8221;][et_pb_row _builder_version=&#8221;4.26.1&#8243; _module_preset=&#8221;default&#8221; background_color=&#8221;#FFFFFF&#8221; width=&#8221;100%&#8221; global_colors_info=&#8221;{}&#8221; theme_builder_area=&#8221;post_content&#8221;][et_pb_column type=&#8221;4_4&#8243; _builder_version=&#8221;4.24.0&#8243; _module_preset=&#8221;default&#8221; global_colors_info=&#8221;{}&#8221; theme_builder_area=&#8221;post_content&#8221;][et_pb_post_nav prev_text=&#8221;Previous news&#8221; next_text=&#8221;Next news&#8221; _builder_version=&#8221;4.24.0&#8243; _module_preset=&#8221;default&#8221; global_colors_info=&#8221;{}&#8221; theme_builder_area=&#8221;post_content&#8221;][\/et_pb_post_nav][dsm_blog_carousel include_categories=&#8221;6&#8243; excerpt_length=&#8221;20&#8243; use_author=&#8221;off&#8221; _builder_version=&#8221;4.24.0&#8243; _module_preset=&#8221;default&#8221; global_colors_info=&#8221;{}&#8221; theme_builder_area=&#8221;post_content&#8221;][\/dsm_blog_carousel][\/et_pb_column][\/et_pb_row][\/et_pb_section]<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Abstract In this work, we developed a new e-NRTL thermodynamic framework for CO2 absorption in aqueous mixtures of 2-amino-2-methyl-1-propanol (AMP) and piperazine (PZ) in Aspen Plus. The e-NRTL AMP\/PZ\/H2O\/CO2 model was fitted on experimental data covering a range of AMP concentration from 12 to 48 mass % and PZ concentration from 2 to 26 mass %, temperature from 20 to 160 \u00b0C and CO2 loading from 0 to 1.03 \ud835\udc5a\ud835\udc5c\ud835\udc59\ud835\udc36\ud835\udc422\/\ud835\udc5a\ud835\udc5c\ud835\udc59\ud835\udc34\ud835\udc40\ud835\udc43+\ud835\udc5a\ud835\udc5c\ud835\udc59\ud835\udc43\ud835\udc4d. The model predicts the CO2 solubility, as partial pressure of CO2, over aqueous AMP\/PZ solutions within an absolute average relative deviation (AARD) of 26.3%, the total pressure of the system with an AARD value of 7.0%, the heat of absorption of CO2 with an AARD value of 10.2%, and the estimated free CO2 concentration with an AARD value of 13.1%. The model gives a good representation of liquid speciation as a function of the CO2 loading and amine concentration. The model shows good predictions of the CO2 solubility over aqueous AMP\/PZ solutions at relevant absorber, stripper and water wash amine concentrations and temperatures. The developed e-NRTL model, in combination with mass transfer and CO2 absorption kinetics modeling, is validated with two pilot campaigns: one at the University of Kaiserslautern and [&hellip;]<\/p>\n","protected":false},"author":4,"featured_media":6996,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_et_pb_use_builder":"on","_et_pb_old_content":"","_et_gb_content_width":"","footnotes":""},"categories":[6],"tags":[],"class_list":["post-6995","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-journal-publication"],"_links":{"self":[{"href":"https:\/\/aurora-heu.eu\/el\/wp-json\/wp\/v2\/posts\/6995","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/aurora-heu.eu\/el\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/aurora-heu.eu\/el\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/aurora-heu.eu\/el\/wp-json\/wp\/v2\/users\/4"}],"replies":[{"embeddable":true,"href":"https:\/\/aurora-heu.eu\/el\/wp-json\/wp\/v2\/comments?post=6995"}],"version-history":[{"count":3,"href":"https:\/\/aurora-heu.eu\/el\/wp-json\/wp\/v2\/posts\/6995\/revisions"}],"predecessor-version":[{"id":6999,"href":"https:\/\/aurora-heu.eu\/el\/wp-json\/wp\/v2\/posts\/6995\/revisions\/6999"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/aurora-heu.eu\/el\/wp-json\/wp\/v2\/media\/6996"}],"wp:attachment":[{"href":"https:\/\/aurora-heu.eu\/el\/wp-json\/wp\/v2\/media?parent=6995"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/aurora-heu.eu\/el\/wp-json\/wp\/v2\/categories?post=6995"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/aurora-heu.eu\/el\/wp-json\/wp\/v2\/tags?post=6995"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}