{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,16]],"date-time":"2026-09-16T17:54:31Z","timestamp":1789581271904,"version":"build-2803163510"},"reference-count":33,"publisher":"Springer Science and Business Media LLC","issue":"21","license":[{"start":{"date-parts":[[2025,5,5]],"date-time":"2025-05-05T00:00:00Z","timestamp":1746403200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2025,5,5]],"date-time":"2025-05-05T00:00:00Z","timestamp":1746403200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Environ Sci Pollut Res"],"DOI":"10.1007\/s11356-025-36464-7","type":"journal-article","created":{"date-parts":[[2025,5,5]],"date-time":"2025-05-05T04:03:59Z","timestamp":1746417839000},"page":"12681-12699","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["CO2 capture using mixed amines: experimental DFT investigation with focus on improvements in cyclic efficiency and NO interference"],"prefix":"10.1007","volume":"32","author":[{"given":"Muhammad","family":"Haris","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Arif","family":"Aziz","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muhammad","family":"Sohail","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Waseem","family":"Sardar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2025,5,5]]},"reference":[{"key":"36464_CR1","doi-asserted-by":"publisher","first-page":"120093","DOI":"10.1016\/j.seppur.2021.120093","volume":"282","author":"II Alkhatib","year":"2022","unstructured":"Alkhatib II, Galindo A, Vega LF (2022) Systematic study of the effect of the co-solvent on the performance of amine-based solvents for CO2 capture. Sep Purif Technol 282:120093","journal-title":"Sep Purif Technol"},{"key":"36464_CR2","doi-asserted-by":"publisher","first-page":"218","DOI":"10.1016\/j.cej.2012.03.006","volume":"191","author":"JG Brandin","year":"2012","unstructured":"Brandin JG, Hulteberg CP, Odenbrand CI (2012) High-temperature and high-concentration SCR of NO with NH3: application in a CCS process for removal of carbon dioxide. Chem Eng J 191:218\u2013227","journal-title":"Chem Eng J"},{"issue":"6","key":"36464_CR3","doi-asserted-by":"publisher","first-page":"386","DOI":"10.3390\/gels10060386","volume":"10","author":"DC Carrascal-Hernandez","year":"2024","unstructured":"Carrascal-Hernandez DC, Mendez-Lopez M, Insuasty D, Garc\u00eda-Freites S, Sanjuan M, M\u00e1rquez E (2024) Molecular recognition between carbon dioxide and biodegradable hydrogel models: a density functional theory (DFT) Investigation. Gels 10(6):386","journal-title":"Gels"},{"key":"36464_CR4","doi-asserted-by":"publisher","first-page":"921","DOI":"10.1016\/j.cej.2017.11.032","volume":"335","author":"X Chen","year":"2018","unstructured":"Chen X, Huang G, An C, Yao Y, Zhao S (2018) Emerging N-nitrosamines and N-nitramines from amine-based post-combustion CO2 capture\u2013a review. Chem Eng J 335:921\u2013935","journal-title":"Chem Eng J"},{"issue":"12","key":"36464_CR5","doi-asserted-by":"publisher","first-page":"7321","DOI":"10.3390\/app13127321","volume":"13","author":"P-C Chen","year":"2023","unstructured":"Chen P-C, Jhuang J-H, Wu T-W, Yang C-Y, Wang K-Y, Chen C-M (2023) Capture of CO2 using mixed amines and solvent regeneration in a lab-scale continuous bubble-column scrubber. Appl Sci 13(12):7321","journal-title":"Appl Sci"},{"issue":"37","key":"36464_CR6","doi-asserted-by":"publisher","first-page":"14451","DOI":"10.1021\/ie502434m","volume":"53","author":"SY Choi","year":"2014","unstructured":"Choi SY, Nam SC, Yoon YI, Park KT, Park S-J (2014) Carbon dioxide absorption into aqueous blends of methyldiethanolamine (MDEA) and alkyl amines containing multiple amino groups. Ind Eng Chem Res 53(37):14451\u201314461","journal-title":"Ind Eng Chem Res"},{"issue":"3","key":"36464_CR7","doi-asserted-by":"publisher","first-page":"625","DOI":"10.1021\/ct100641a","volume":"7","author":"J Contreras-Garc\u00eda","year":"2011","unstructured":"Contreras-Garc\u00eda J, Johnson ER, Keinan S, Chaudret R, Piquemal J-P, Beratan DN, Yang W (2011) NCIPLOT: a program for plotting noncovalent interaction regions. J Chem Theory Comput 7(3):625\u2013632","journal-title":"J Chem Theory Comput"},{"issue":"41","key":"36464_CR8","doi-asserted-by":"publisher","first-page":"3997","DOI":"10.1039\/b608858a","volume":"16","author":"O Crespo-Biel","year":"2006","unstructured":"Crespo-Biel O, Ravoo BJ, Reinhoudt DN, Huskens J (2006) Noncovalent nanoarchitectures on surfaces: from 2D to 3D nanostructures. J Mater Chem 16(41):3997\u20134021","journal-title":"J Mater Chem"},{"issue":"17","key":"36464_CR9","doi-asserted-by":"publisher","first-page":"9793","DOI":"10.1021\/es301867b","volume":"46","author":"N Dai","year":"2012","unstructured":"Dai N, Shah AD, Hu L, Plewa MJ, McKague B, Mitch WA (2012) Measurement of nitrosamine and nitramine formation from NO x reactions with amines during amine-based carbon dioxide capture for postcombustion carbon sequestration. Environ Sci Technol 46(17):9793\u20139801","journal-title":"Environ Sci Technol"},{"key":"36464_CR10","doi-asserted-by":"publisher","first-page":"150954","DOI":"10.1016\/j.cej.2024.150954","volume":"488","author":"J Du","year":"2024","unstructured":"Du J, Yang W, Xu L, Bei L, Lei S, Li W, Sun L (2024) Review on post-combustion CO2 capture by amine blended solvents and aqueous ammonia. Chem Eng J 488:150954","journal-title":"Chem Eng J"},{"key":"36464_CR11","doi-asserted-by":"publisher","first-page":"97","DOI":"10.1016\/j.jct.2012.02.031","volume":"51","author":"D Fernandes","year":"2012","unstructured":"Fernandes D, Conway W, Wang X, Burns R, Lawrance G, Maeder M, Puxty G (2012) Protonation constants and thermodynamic properties of amines for post combustion capture of CO2. J Chem Thermodyn 51:97\u2013102","journal-title":"J Chem Thermodyn"},{"issue":"25","key":"36464_CR12","doi-asserted-by":"publisher","first-page":"2234","DOI":"10.1002\/jcc.25873","volume":"40","author":"ED Glendening","year":"2019","unstructured":"Glendening ED, Landis CR, Weinhold F (2019) NBO 7.0: new vistas in localized and delocalized chemical bonding theory. J Comput Chem 40(25):2234\u20132241","journal-title":"J Comput Chem"},{"issue":"19","key":"36464_CR13","doi-asserted-by":"publisher","first-page":"4618","DOI":"10.3390\/molecules29194618","volume":"29","author":"W Jiang","year":"2024","unstructured":"Jiang W, Lin Y, Sun C, Sun Y, Zhu Y (2024) Comparative review for enhancing CO2 capture efficiency with mixed amine systems and catalysts. Molecules 29(19):4618","journal-title":"Molecules"},{"issue":"27","key":"36464_CR14","doi-asserted-by":"publisher","first-page":"17928","DOI":"10.1039\/C7CP02110K","volume":"19","author":"C Lefebvre","year":"2017","unstructured":"Lefebvre C, Rubez G, Khartabil H, Boisson J-C, Contreras-Garc\u00eda J, H\u00e9non E (2017) Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density. Phys Chem Chem Phys 19(27):17928\u201317936","journal-title":"Phys Chem Chem Phys"},{"issue":"12","key":"36464_CR15","doi-asserted-by":"publisher","first-page":"1386","DOI":"10.1016\/j.fuproc.2008.06.011","volume":"89","author":"DY Lu","year":"2008","unstructured":"Lu DY, Hughes RW, Anthony EJ (2008) Ca-based sorbent looping combustion for CO2 capture in pilot-scale dual fluidized beds. Fuel Process Technol 89(12):1386\u20131395","journal-title":"Fuel Process Technol"},{"key":"36464_CR16","doi-asserted-by":"publisher","first-page":"145929","DOI":"10.1016\/j.cej.2023.145929","volume":"474","author":"G Lu","year":"2023","unstructured":"Lu G, Wang Z, Yue Z, Wei W, Huang Y, Zhang X, Fan X (2023) Development of novel AMP-based absorbents for efficient CO2 capture with low energy consumption through modifying the electrostatic potential. Chem Eng J 474:145929","journal-title":"Chem Eng J"},{"issue":"3","key":"36464_CR17","doi-asserted-by":"publisher","first-page":"887","DOI":"10.3390\/en15030887","volume":"15","author":"P Madejski","year":"2022","unstructured":"Madejski P, Chmiel K, Subramanian N, Ku\u015b T (2022) Methods and techniques for CO2 capture: review of potential solutions and applications in modern energy technologies. Energies 15(3):887","journal-title":"Energies"},{"issue":"10\u201311","key":"36464_CR18","doi-asserted-by":"publisher","first-page":"951","DOI":"10.1016\/S0301-4215(96)80360-0","volume":"24","author":"WR Moomaw","year":"1996","unstructured":"Moomaw WR (1996) Industrial emissions of greenhouse gases. Energy Policy 24(10\u201311):951\u2013968","journal-title":"Energy Policy"},{"issue":"2","key":"36464_CR19","doi-asserted-by":"publisher","first-page":"120","DOI":"10.1093\/ce\/zkaa003","volume":"4","author":"P Muchan","year":"2020","unstructured":"Muchan P, Saiwan C, Nithitanakul M (2020) Investigation of adsorption\/desorption performance by aminopropyltriethoxysilane grafted onto different mesoporous silica for post-combustion CO2 capture. Clean Energy 4(2):120\u2013131","journal-title":"Clean Energy"},{"issue":"5","key":"36464_CR20","doi-asserted-by":"publisher","first-page":"1357","DOI":"10.1016\/j.cjche.2020.02.029","volume":"28","author":"ZL Ooi","year":"2020","unstructured":"Ooi ZL, Tan PY, Tan LS, Yeap SP (2020) Amine-based solvent for CO2 absorption and its impact on carbon steel corrosion: a perspective review. Chin J Chem Eng 28(5):1357\u20131367","journal-title":"Chin J Chem Eng"},{"key":"36464_CR21","doi-asserted-by":"publisher","first-page":"102654","DOI":"10.1016\/j.jcou.2023.102654","volume":"79","author":"HW Orendi","year":"2024","unstructured":"Orendi HW, Joby K, \u0160iller L (2024) Enhancements of monoethanolamine CO2 absorption rate and degradation in the presence of nickel nanoparticles catalysts. J CO2 Util 79:102654","journal-title":"J CO2 Util"},{"issue":"35","key":"36464_CR22","doi-asserted-by":"publisher","first-page":"12165","DOI":"10.1039\/c2cp41395g","volume":"14","author":"A Otero-De-La-Roza","year":"2012","unstructured":"Otero-De-La-Roza A, Johnson ER, Contreras-Garc\u00eda J (2012) Revealing non-covalent interactions in solids: NCI plots revisited. Phys Chem Chem Phys 14(35):12165\u201312172","journal-title":"Phys Chem Chem Phys"},{"issue":"14","key":"36464_CR23","doi-asserted-by":"publisher","first-page":"8999","DOI":"10.1021\/acs.est.0c02595","volume":"54","author":"M Rahimi","year":"2020","unstructured":"Rahimi M, Diederichsen KM, Ozbek N, Wang M, Choi W, Hatton TA (2020) An electrochemically mediated amine regeneration process with a mixed absorbent for postcombustion CO2 capture. Environ Sci Technol 54(14):8999\u20139007","journal-title":"Environ Sci Technol"},{"key":"36464_CR24","doi-asserted-by":"publisher","first-page":"3079663","DOI":"10.1155\/2022\/3079663","volume":"2022","author":"CY Teo","year":"2022","unstructured":"Teo CY, Jong JSJ, Chan YQ (2022) Carbon-based materials as effective adsorbents for the removal of pharmaceutical compounds from aqueous solution. Adsorpt Sci Technol 2022:3079663","journal-title":"Adsorpt Sci Technol"},{"key":"36464_CR25","doi-asserted-by":"publisher","first-page":"115299","DOI":"10.1016\/j.watres.2019.115299","volume":"170","author":"Z Wang","year":"2020","unstructured":"Wang Z, Zhang Z, Mitch WA (2020) Role of absorber and desorber units and operational conditions for N-nitrosamine formation during amine-based carbon capture. Water Res 170:115299","journal-title":"Water Res"},{"issue":"1","key":"36464_CR26","doi-asserted-by":"publisher","first-page":"187","DOI":"10.3390\/pr12010187","volume":"12","author":"D Wang","year":"2024","unstructured":"Wang D, Liu L, Xie J, Yang Y, Zhou H, Fan X (2024) A coupling calculation method of desorption energy distribution applied to CO2 capture by chemical absorption. Processes 12(1):187","journal-title":"Processes"},{"issue":"34","key":"36464_CR27","doi-asserted-by":"publisher","first-page":"15606","DOI":"10.1021\/acs.iecr.9b03140","volume":"58","author":"RP Wijesiri","year":"2019","unstructured":"Wijesiri RP, Knowles GP, Yeasmin H, Hoadley AF, Chaffee AL (2019) Desorption process for capturing CO2 from air with supported amine sorbent. Ind Eng Chem Res 58(34):15606\u201315618","journal-title":"Ind Eng Chem Res"},{"issue":"32","key":"36464_CR28","doi-asserted-by":"publisher","first-page":"12848","DOI":"10.1021\/ie502256m","volume":"53","author":"N Yang","year":"2014","unstructured":"Yang N, Xu D-Y, Wei C-C, Puxty G, Yu H, Maeder M, Feron P (2014) Protonation constants and thermodynamic properties of amino acid salts for CO2 capture at high temperatures. Ind Eng Chem Res 53(32):12848\u201312855","journal-title":"Ind Eng Chem Res"},{"key":"36464_CR29","doi-asserted-by":"publisher","first-page":"127462","DOI":"10.1016\/j.molstruc.2019.127462","volume":"1204","author":"M Yaqoob","year":"2020","unstructured":"Yaqoob M, Gul S, Zubair NF, Iqbal J, Iqbal MA (2020) Theoretical calculation of selenium N-heterocyclic carbene compounds through DFT studies: synthesis, characterization and biological potential. J Mol Struct 1204:127462","journal-title":"J Mol Struct"},{"issue":"20","key":"36464_CR30","doi-asserted-by":"publisher","first-page":"11522","DOI":"10.1021\/acs.est.7b02597","volume":"51","author":"K Yu","year":"2017","unstructured":"Yu K, Mitch WA, Dai N, Technology (2017) Nitrosamines and nitramines in amine-based carbon dioxide capture systems: fundamentals, engineering implications, and knowledge gaps. Environ Sci 51(20):11522\u201311536","journal-title":"Environ Sci"},{"issue":"13","key":"36464_CR31","doi-asserted-by":"publisher","first-page":"11643","DOI":"10.1021\/acsomega.2c05070","volume":"8","author":"X Yu","year":"2023","unstructured":"Yu X, Catanescu CO, Bird RE, Satagopan S, Baum ZJ, Lotti Diaz LM, Zhou QA (2023) Trends in research and development for CO2 capture and sequestration. ACS Omega 8(13):11643\u201311664","journal-title":"ACS Omega"},{"key":"36464_CR32","doi-asserted-by":"publisher","first-page":"149938","DOI":"10.1016\/j.cej.2024.149938","volume":"485","author":"P Zang","year":"2024","unstructured":"Zang P, Tang J, Zhang H, Wang X, Cui L, Chen J, Dong Y (2024) Two-dimensional interfacial enhanced CO2 adsorption performance of porous organic amine solids: structure-activity relationships and DFT calculations. Chem Eng J 485:149938","journal-title":"Chem Eng J"},{"key":"36464_CR33","doi-asserted-by":"publisher","first-page":"123954","DOI":"10.1016\/j.molliq.2024.123954","volume":"395","author":"W Zhai","year":"2024","unstructured":"Zhai W, Chai L, Wang E, Wang X, Zang J, Ma K, Zhang J (2024) Excess properties, intermolecular interactions, and CO2 absorption property of ethylene glycol+ diethylenetriamine binary solutions. J Mol Liq 395:123954","journal-title":"J Mol Liq"}],"container-title":["Environmental Science and Pollution Research"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s11356-025-36464-7.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s11356-025-36464-7\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s11356-025-36464-7.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,5,28]],"date-time":"2025-05-28T05:37:21Z","timestamp":1748410641000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s11356-025-36464-7"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,5,5]]},"references-count":33,"journal-issue":{"issue":"21","published-online":{"date-parts":[[2025,5]]}},"alternative-id":["36464"],"URL":"https:\/\/doi.org\/10.1007\/s11356-025-36464-7","relation":{},"ISSN":["1614-7499"],"issn-type":[{"value":"1614-7499","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,5,5]]},"assertion":[{"value":"9 January 2025","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"23 April 2025","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"5 May 2025","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Declarations"}},{"value":"We hereby confirm that the submitted paper adheres to the highest ethical standards. The research presented is original and has been conducted with integrity.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Ethical approval"}},{"value":"All authors have provided their consent to participate in the study and contribute to the manuscript as outlined.","order":3,"name":"Ethics","group":{"name":"EthicsHeading","label":"Consent to participate"}},{"value":"All contributing authors consent to the journal\u2019s right to review and publish the manuscript upon acceptance.","order":4,"name":"Ethics","group":{"name":"EthicsHeading","label":"Consent for publication"}},{"value":"The authors declare no conflicts of interest related to this publication.","order":5,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interests"}},{"value":"Not applicable.","order":6,"name":"Ethics","group":{"name":"EthicsHeading","label":"Clinical trial number"}}]}}