Facile modification of hydrochar derived from cotton straw with excellent sorption performance for antibiotics: Coupling DFT simulations with experiments
This study aimed to investigate the sorption of tetracycline (TC) and norfloxacin (NOR) by modified cotton straw hydrochars (CSHC), which would enable the agricultural waste to be processed and recycled. Three kinds of hydrochars were prepared by H2SO4, KOH and KMnO4 modification, showed obvious dif...
Ausführliche Beschreibung
Autor*in: |
Cheng, Long [verfasserIn] Ji, Yuanhui [verfasserIn] Shao, Qing [verfasserIn] |
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Format: |
E-Artikel |
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Sprache: |
Englisch |
Erschienen: |
2020 |
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Schlagwörter: |
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Übergeordnetes Werk: |
Enthalten in: The science of the total environment - Amsterdam [u.a.] : Elsevier Science, 1972, 760 |
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Übergeordnetes Werk: |
volume:760 |
DOI / URN: |
10.1016/j.scitotenv.2020.144124 |
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Katalog-ID: |
ELV005348528 |
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245 | 1 | 0 | |a Facile modification of hydrochar derived from cotton straw with excellent sorption performance for antibiotics: Coupling DFT simulations with experiments |
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520 | |a This study aimed to investigate the sorption of tetracycline (TC) and norfloxacin (NOR) by modified cotton straw hydrochars (CSHC), which would enable the agricultural waste to be processed and recycled. Three kinds of hydrochars were prepared by H2SO4, KOH and KMnO4 modification, showed obvious differences in structures and surface functional groups. The sorption processes contain film diffusion, intraparticle diffusion, and equilibrium. The interaction mechanism between hydrochar and antibiotics include π-π stacking, hydrogen bond, and electrostatic interaction. KMnO4-modified hydrochar had the largest sorption capacity for TC (58.09 mg/g), while H2SO4-modified hydrochar had the largest sorption capacity for NOR (49.64 mg/g). Density functional calculations (DFT) results confirmed that the sorption capacity between hydrochar (HC) and TC was larger than that between HC and NOR. During the sorption process, the TC and NOR were regarded as electron acceptor and electron donor. Generally, CSHC-KMnO4 and CSHC-H2SO4 may be simply prepared and have the potential to eliminate antibiotics from water. | ||
650 | 4 | |a Cotton straw | |
650 | 4 | |a Hydrochar | |
650 | 4 | |a Sorption | |
650 | 4 | |a Tetracycline | |
650 | 4 | |a Norfloxacin | |
700 | 1 | |a Ji, Yuanhui |e verfasserin |4 aut | |
700 | 1 | |a Shao, Qing |e verfasserin |4 aut | |
773 | 0 | 8 | |i Enthalten in |t The science of the total environment |d Amsterdam [u.a.] : Elsevier Science, 1972 |g 760 |h Online-Ressource |w (DE-627)306591456 |w (DE-600)1498726-0 |w (DE-576)081953178 |x 1879-1026 |7 nnns |
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936 | b | k | |a 43.12 |j Umweltchemie |
936 | b | k | |a 43.13 |j Umwelttoxikologie |
936 | b | k | |a 44.13 |j Medizinische Ökologie |
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publishDate |
2020 |
allfields |
10.1016/j.scitotenv.2020.144124 doi (DE-627)ELV005348528 (ELSEVIER)S0048-9697(20)37655-5 DE-627 ger DE-627 rda eng 333.7 610 DE-600 43.12 bkl 43.13 bkl 44.13 bkl Cheng, Long verfasserin aut Facile modification of hydrochar derived from cotton straw with excellent sorption performance for antibiotics: Coupling DFT simulations with experiments 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier This study aimed to investigate the sorption of tetracycline (TC) and norfloxacin (NOR) by modified cotton straw hydrochars (CSHC), which would enable the agricultural waste to be processed and recycled. Three kinds of hydrochars were prepared by H2SO4, KOH and KMnO4 modification, showed obvious differences in structures and surface functional groups. The sorption processes contain film diffusion, intraparticle diffusion, and equilibrium. The interaction mechanism between hydrochar and antibiotics include π-π stacking, hydrogen bond, and electrostatic interaction. KMnO4-modified hydrochar had the largest sorption capacity for TC (58.09 mg/g), while H2SO4-modified hydrochar had the largest sorption capacity for NOR (49.64 mg/g). Density functional calculations (DFT) results confirmed that the sorption capacity between hydrochar (HC) and TC was larger than that between HC and NOR. During the sorption process, the TC and NOR were regarded as electron acceptor and electron donor. Generally, CSHC-KMnO4 and CSHC-H2SO4 may be simply prepared and have the potential to eliminate antibiotics from water. Cotton straw Hydrochar Sorption Tetracycline Norfloxacin Ji, Yuanhui verfasserin aut Shao, Qing verfasserin aut Enthalten in The science of the total environment Amsterdam [u.a.] : Elsevier Science, 1972 760 Online-Ressource (DE-627)306591456 (DE-600)1498726-0 (DE-576)081953178 1879-1026 nnns volume:760 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA SSG-OPC-GGO GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 43.12 Umweltchemie 43.13 Umwelttoxikologie 44.13 Medizinische Ökologie AR 760 |
spelling |
10.1016/j.scitotenv.2020.144124 doi (DE-627)ELV005348528 (ELSEVIER)S0048-9697(20)37655-5 DE-627 ger DE-627 rda eng 333.7 610 DE-600 43.12 bkl 43.13 bkl 44.13 bkl Cheng, Long verfasserin aut Facile modification of hydrochar derived from cotton straw with excellent sorption performance for antibiotics: Coupling DFT simulations with experiments 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier This study aimed to investigate the sorption of tetracycline (TC) and norfloxacin (NOR) by modified cotton straw hydrochars (CSHC), which would enable the agricultural waste to be processed and recycled. Three kinds of hydrochars were prepared by H2SO4, KOH and KMnO4 modification, showed obvious differences in structures and surface functional groups. The sorption processes contain film diffusion, intraparticle diffusion, and equilibrium. The interaction mechanism between hydrochar and antibiotics include π-π stacking, hydrogen bond, and electrostatic interaction. KMnO4-modified hydrochar had the largest sorption capacity for TC (58.09 mg/g), while H2SO4-modified hydrochar had the largest sorption capacity for NOR (49.64 mg/g). Density functional calculations (DFT) results confirmed that the sorption capacity between hydrochar (HC) and TC was larger than that between HC and NOR. During the sorption process, the TC and NOR were regarded as electron acceptor and electron donor. Generally, CSHC-KMnO4 and CSHC-H2SO4 may be simply prepared and have the potential to eliminate antibiotics from water. Cotton straw Hydrochar Sorption Tetracycline Norfloxacin Ji, Yuanhui verfasserin aut Shao, Qing verfasserin aut Enthalten in The science of the total environment Amsterdam [u.a.] : Elsevier Science, 1972 760 Online-Ressource (DE-627)306591456 (DE-600)1498726-0 (DE-576)081953178 1879-1026 nnns volume:760 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA SSG-OPC-GGO GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 43.12 Umweltchemie 43.13 Umwelttoxikologie 44.13 Medizinische Ökologie AR 760 |
allfields_unstemmed |
10.1016/j.scitotenv.2020.144124 doi (DE-627)ELV005348528 (ELSEVIER)S0048-9697(20)37655-5 DE-627 ger DE-627 rda eng 333.7 610 DE-600 43.12 bkl 43.13 bkl 44.13 bkl Cheng, Long verfasserin aut Facile modification of hydrochar derived from cotton straw with excellent sorption performance for antibiotics: Coupling DFT simulations with experiments 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier This study aimed to investigate the sorption of tetracycline (TC) and norfloxacin (NOR) by modified cotton straw hydrochars (CSHC), which would enable the agricultural waste to be processed and recycled. Three kinds of hydrochars were prepared by H2SO4, KOH and KMnO4 modification, showed obvious differences in structures and surface functional groups. The sorption processes contain film diffusion, intraparticle diffusion, and equilibrium. The interaction mechanism between hydrochar and antibiotics include π-π stacking, hydrogen bond, and electrostatic interaction. KMnO4-modified hydrochar had the largest sorption capacity for TC (58.09 mg/g), while H2SO4-modified hydrochar had the largest sorption capacity for NOR (49.64 mg/g). Density functional calculations (DFT) results confirmed that the sorption capacity between hydrochar (HC) and TC was larger than that between HC and NOR. During the sorption process, the TC and NOR were regarded as electron acceptor and electron donor. Generally, CSHC-KMnO4 and CSHC-H2SO4 may be simply prepared and have the potential to eliminate antibiotics from water. Cotton straw Hydrochar Sorption Tetracycline Norfloxacin Ji, Yuanhui verfasserin aut Shao, Qing verfasserin aut Enthalten in The science of the total environment Amsterdam [u.a.] : Elsevier Science, 1972 760 Online-Ressource (DE-627)306591456 (DE-600)1498726-0 (DE-576)081953178 1879-1026 nnns volume:760 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA SSG-OPC-GGO GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 43.12 Umweltchemie 43.13 Umwelttoxikologie 44.13 Medizinische Ökologie AR 760 |
allfieldsGer |
10.1016/j.scitotenv.2020.144124 doi (DE-627)ELV005348528 (ELSEVIER)S0048-9697(20)37655-5 DE-627 ger DE-627 rda eng 333.7 610 DE-600 43.12 bkl 43.13 bkl 44.13 bkl Cheng, Long verfasserin aut Facile modification of hydrochar derived from cotton straw with excellent sorption performance for antibiotics: Coupling DFT simulations with experiments 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier This study aimed to investigate the sorption of tetracycline (TC) and norfloxacin (NOR) by modified cotton straw hydrochars (CSHC), which would enable the agricultural waste to be processed and recycled. Three kinds of hydrochars were prepared by H2SO4, KOH and KMnO4 modification, showed obvious differences in structures and surface functional groups. The sorption processes contain film diffusion, intraparticle diffusion, and equilibrium. The interaction mechanism between hydrochar and antibiotics include π-π stacking, hydrogen bond, and electrostatic interaction. KMnO4-modified hydrochar had the largest sorption capacity for TC (58.09 mg/g), while H2SO4-modified hydrochar had the largest sorption capacity for NOR (49.64 mg/g). Density functional calculations (DFT) results confirmed that the sorption capacity between hydrochar (HC) and TC was larger than that between HC and NOR. During the sorption process, the TC and NOR were regarded as electron acceptor and electron donor. Generally, CSHC-KMnO4 and CSHC-H2SO4 may be simply prepared and have the potential to eliminate antibiotics from water. Cotton straw Hydrochar Sorption Tetracycline Norfloxacin Ji, Yuanhui verfasserin aut Shao, Qing verfasserin aut Enthalten in The science of the total environment Amsterdam [u.a.] : Elsevier Science, 1972 760 Online-Ressource (DE-627)306591456 (DE-600)1498726-0 (DE-576)081953178 1879-1026 nnns volume:760 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA SSG-OPC-GGO GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 43.12 Umweltchemie 43.13 Umwelttoxikologie 44.13 Medizinische Ökologie AR 760 |
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10.1016/j.scitotenv.2020.144124 doi (DE-627)ELV005348528 (ELSEVIER)S0048-9697(20)37655-5 DE-627 ger DE-627 rda eng 333.7 610 DE-600 43.12 bkl 43.13 bkl 44.13 bkl Cheng, Long verfasserin aut Facile modification of hydrochar derived from cotton straw with excellent sorption performance for antibiotics: Coupling DFT simulations with experiments 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier This study aimed to investigate the sorption of tetracycline (TC) and norfloxacin (NOR) by modified cotton straw hydrochars (CSHC), which would enable the agricultural waste to be processed and recycled. Three kinds of hydrochars were prepared by H2SO4, KOH and KMnO4 modification, showed obvious differences in structures and surface functional groups. The sorption processes contain film diffusion, intraparticle diffusion, and equilibrium. The interaction mechanism between hydrochar and antibiotics include π-π stacking, hydrogen bond, and electrostatic interaction. KMnO4-modified hydrochar had the largest sorption capacity for TC (58.09 mg/g), while H2SO4-modified hydrochar had the largest sorption capacity for NOR (49.64 mg/g). Density functional calculations (DFT) results confirmed that the sorption capacity between hydrochar (HC) and TC was larger than that between HC and NOR. During the sorption process, the TC and NOR were regarded as electron acceptor and electron donor. Generally, CSHC-KMnO4 and CSHC-H2SO4 may be simply prepared and have the potential to eliminate antibiotics from water. Cotton straw Hydrochar Sorption Tetracycline Norfloxacin Ji, Yuanhui verfasserin aut Shao, Qing verfasserin aut Enthalten in The science of the total environment Amsterdam [u.a.] : Elsevier Science, 1972 760 Online-Ressource (DE-627)306591456 (DE-600)1498726-0 (DE-576)081953178 1879-1026 nnns volume:760 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA SSG-OPC-GGO GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 43.12 Umweltchemie 43.13 Umwelttoxikologie 44.13 Medizinische Ökologie AR 760 |
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Facile modification of hydrochar derived from cotton straw with excellent sorption performance for antibiotics: Coupling DFT simulations with experiments |
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title_full |
Facile modification of hydrochar derived from cotton straw with excellent sorption performance for antibiotics: Coupling DFT simulations with experiments |
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Cheng, Long |
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The science of the total environment |
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eng |
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Cheng, Long Ji, Yuanhui Shao, Qing |
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Cheng, Long |
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10.1016/j.scitotenv.2020.144124 |
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title_sort |
facile modification of hydrochar derived from cotton straw with excellent sorption performance for antibiotics: coupling dft simulations with experiments |
title_auth |
Facile modification of hydrochar derived from cotton straw with excellent sorption performance for antibiotics: Coupling DFT simulations with experiments |
abstract |
This study aimed to investigate the sorption of tetracycline (TC) and norfloxacin (NOR) by modified cotton straw hydrochars (CSHC), which would enable the agricultural waste to be processed and recycled. Three kinds of hydrochars were prepared by H2SO4, KOH and KMnO4 modification, showed obvious differences in structures and surface functional groups. The sorption processes contain film diffusion, intraparticle diffusion, and equilibrium. The interaction mechanism between hydrochar and antibiotics include π-π stacking, hydrogen bond, and electrostatic interaction. KMnO4-modified hydrochar had the largest sorption capacity for TC (58.09 mg/g), while H2SO4-modified hydrochar had the largest sorption capacity for NOR (49.64 mg/g). Density functional calculations (DFT) results confirmed that the sorption capacity between hydrochar (HC) and TC was larger than that between HC and NOR. During the sorption process, the TC and NOR were regarded as electron acceptor and electron donor. Generally, CSHC-KMnO4 and CSHC-H2SO4 may be simply prepared and have the potential to eliminate antibiotics from water. |
abstractGer |
This study aimed to investigate the sorption of tetracycline (TC) and norfloxacin (NOR) by modified cotton straw hydrochars (CSHC), which would enable the agricultural waste to be processed and recycled. Three kinds of hydrochars were prepared by H2SO4, KOH and KMnO4 modification, showed obvious differences in structures and surface functional groups. The sorption processes contain film diffusion, intraparticle diffusion, and equilibrium. The interaction mechanism between hydrochar and antibiotics include π-π stacking, hydrogen bond, and electrostatic interaction. KMnO4-modified hydrochar had the largest sorption capacity for TC (58.09 mg/g), while H2SO4-modified hydrochar had the largest sorption capacity for NOR (49.64 mg/g). Density functional calculations (DFT) results confirmed that the sorption capacity between hydrochar (HC) and TC was larger than that between HC and NOR. During the sorption process, the TC and NOR were regarded as electron acceptor and electron donor. Generally, CSHC-KMnO4 and CSHC-H2SO4 may be simply prepared and have the potential to eliminate antibiotics from water. |
abstract_unstemmed |
This study aimed to investigate the sorption of tetracycline (TC) and norfloxacin (NOR) by modified cotton straw hydrochars (CSHC), which would enable the agricultural waste to be processed and recycled. Three kinds of hydrochars were prepared by H2SO4, KOH and KMnO4 modification, showed obvious differences in structures and surface functional groups. The sorption processes contain film diffusion, intraparticle diffusion, and equilibrium. The interaction mechanism between hydrochar and antibiotics include π-π stacking, hydrogen bond, and electrostatic interaction. KMnO4-modified hydrochar had the largest sorption capacity for TC (58.09 mg/g), while H2SO4-modified hydrochar had the largest sorption capacity for NOR (49.64 mg/g). Density functional calculations (DFT) results confirmed that the sorption capacity between hydrochar (HC) and TC was larger than that between HC and NOR. During the sorption process, the TC and NOR were regarded as electron acceptor and electron donor. Generally, CSHC-KMnO4 and CSHC-H2SO4 may be simply prepared and have the potential to eliminate antibiotics from water. |
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title_short |
Facile modification of hydrochar derived from cotton straw with excellent sorption performance for antibiotics: Coupling DFT simulations with experiments |
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Ji, Yuanhui Shao, Qing |
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up_date |
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