{"id":1706,"date":"2022-06-21T00:56:51","date_gmt":"2022-06-20T22:56:51","guid":{"rendered":"https:\/\/nicl.it\/new\/?p=1706"},"modified":"2023-08-15T17:19:07","modified_gmt":"2023-08-15T15:19:07","slug":"competitive-adsorption-of-alizarin-red-s-and-bromocresol-green-from-aqueous-solutions-using-brookite-tio2-nanoparticles-experimental-and-molecular-dynamics-simulation","status":"publish","type":"post","link":"https:\/\/nicl.it\/new\/competitive-adsorption-of-alizarin-red-s-and-bromocresol-green-from-aqueous-solutions-using-brookite-tio2-nanoparticles-experimental-and-molecular-dynamics-simulation","title":{"rendered":"Competitive adsorption of Alizarin Red S and Bromocresol Green from aqueous solutions using brookite TiO2\u00a0nanoparticles: experimental and molecular dynamics simulation"},"content":{"rendered":"

Maryam Hmoudah, Amjad El-Qanni, Saqr Abuhatab, Nedal N. Marei, Amer El-Hamouz, Belal J. Abu Tarboush, Ihab H. Alsurakji, Hanaa M. Baniowda, Vincenzo Russo & Martino Di Serio<\/p>\n

Environmental Science and Pollution Research volume 29, pages77992\u201378008 (2022)<\/p>\n

https:\/\/doi.org\/10.1007\/s11356-022-21368-7<\/a><\/p>\n

Abstract<\/strong><\/p>\n

In this work, the effective adsorption and the subsequent photodegradation activity, of TiO2<\/sub>\u00a0brookite nanoparticles, for the removal of anionic dyes, namely, Alizarin Red S (ARS) and Bromocresol Green (BCG) were studied. Batch adsorption experiments were conducted to investigate the effect of both dyes\u2019 concentration, contact time, and temperature. Photodegradation experiments for the adsorbed dyes were achieved using ultraviolet light illumination (6\u00a0W,\u00a0\u03bb<\/i>\u2009=\u2009365\u00a0nm). The single adsorption isotherms were fitted to the Sips model. The binary adsorption isotherms were fitted using the Extended-Sips model. The results of adsorption isotherms showed that the estimated maximum adsorption uptakes in the binary system were around 140\u00a0mg\u00a0g\u22121<\/sup>\u00a0and 45.5\u00a0mg\u00a0g\u22121<\/sup>\u00a0for ARS and BCG, respectively. In terms of adsorption kinetics, the uptake toward ARS was faster than BCG molecules in which the equilibrium was obtained in 7\u00a0min for ARS, while it took 180\u00a0min for BCG. Moreover, the thermodynamics results showed that the adsorption process was spontaneous for both anionic dyes. All these macroscopic competitive adsorption results indicate high selectivity toward ARS molecules in the presence of BCG molecules. Additionally, the TiO2<\/sub>\u00a0nanoparticles were successfully regenerated using UV irradiation. Moreover, molecular dynamics computational modeling was performed to understand the molecules\u2019 optimum coordination, TiO2<\/sub>\u00a0geometry, adsorption selectivity, and binary solution adsorption energies. The simulation energies distribution exhibits lower adsorption energies for ARS in the range from\u2009\u2212\u2009628 to\u2009\u2212\u20091046\u00a0k<\/span>J<\/span><\/span><\/span>m<\/span>o<\/span>l<\/span><\/span><\/span><\/span><\/span>\u2212<\/span>1<\/span><\/span><\/span><\/span><\/span><\/span>kJmol\u22121<\/span><\/span><\/span>\u00a0for both single and binary systems. In addition to that, the water adsorption energy was found to be between\u2009\u2212\u200942 and\u2009\u2212\u2009209\u00a0k<\/span>J<\/span><\/span><\/span>m<\/span>o<\/span>l<\/span><\/span><\/span><\/span><\/span>\u2212<\/span>1<\/span><\/span><\/span><\/span><\/span><\/span>kJmol\u22121<\/span><\/span><\/span>.<\/p>\n","protected":false},"excerpt":{"rendered":"

Maryam Hmoudah, Amjad El-Qanni, Saqr Abuhatab, Nedal N. Marei, Amer El-Hamouz, Belal J. Abu Tarboush, Ihab H. Alsurakji, Hanaa M. Baniowda, Vincenzo Russo & Martino Di Serio Environmental Science and Pollution Research volume 29, pages77992\u201378008 (2022) https:\/\/doi.org\/10.1007\/s11356-022-21368-7 Abstract In this work, the effective adsorption and the subsequent photodegradation activity, of TiO2\u00a0brookite nanoparticles, for the removal […]<\/p>\n","protected":false},"author":2,"featured_media":2041,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[23,17],"tags":[],"class_list":["post-1706","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-adsorbents-and-catalysts","category-publications"],"acf":[],"_links":{"self":[{"href":"https:\/\/nicl.it\/new\/wp-json\/wp\/v2\/posts\/1706","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/nicl.it\/new\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/nicl.it\/new\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/nicl.it\/new\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/nicl.it\/new\/wp-json\/wp\/v2\/comments?post=1706"}],"version-history":[{"count":5,"href":"https:\/\/nicl.it\/new\/wp-json\/wp\/v2\/posts\/1706\/revisions"}],"predecessor-version":[{"id":2044,"href":"https:\/\/nicl.it\/new\/wp-json\/wp\/v2\/posts\/1706\/revisions\/2044"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/nicl.it\/new\/wp-json\/wp\/v2\/media\/2041"}],"wp:attachment":[{"href":"https:\/\/nicl.it\/new\/wp-json\/wp\/v2\/media?parent=1706"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/nicl.it\/new\/wp-json\/wp\/v2\/categories?post=1706"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/nicl.it\/new\/wp-json\/wp\/v2\/tags?post=1706"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}