Synthesis of hydroxyapatite/polyethylene glycol 6000 composites by novel dissolution/precipitation method: optimization of the adsorption process using a factorial design: DFT and molecular dynamic
Abstract In this work, we presented a synthesis of a composite based on HAp and PEG 6000 using a new method of synthesis dissolution precipitation to be applied for application of wastewater purification from toxic metal ions. Multiple characterization methods were used to analyze the morphology and...
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| Autor*in: |
Azzaoui, K. [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2023 |
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| Schlagwörter: |
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| Anmerkung: |
© The Author(s) 2023 |
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| Übergeordnetes Werk: |
Enthalten in: Chemistry central journal - London : BioMed Central, 2007, 17(2023), 1 vom: 08. Nov. |
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| Übergeordnetes Werk: |
volume:17 ; year:2023 ; number:1 ; day:08 ; month:11 |
| Links: |
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| DOI / URN: |
10.1186/s13065-023-01061-7 |
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SPR053671465 |
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| 520 | |a Abstract In this work, we presented a synthesis of a composite based on HAp and PEG 6000 using a new method of synthesis dissolution precipitation to be applied for application of wastewater purification from toxic metal ions. Multiple characterization methods were used to analyze the morphology and the structure of the well-prepared compounds including FT-IR, Raman, XRD, XPS, TGA and SEM were used to conduct a composite analysis. The adsorption effectiveness of this analysis towards $ Pb^{2+} $ and various other hazardous metal ions found in sewage was assessed. Batch experiments were conducted to optimize the various operational parameters including adsorbent dose, temperature, pH, contact time, and initial concentration. The Langmuir isotherm was used to fit the data, and it predicted monolayer adsorption with a maximum capacity of 67 mg $ g^{−1} $ for HAP PEG600 and 60 mg $ g^{−1} $ for HAp. A pseudo-second-order equation fits the adsorption process well (0.961–0.971). The thermodynamic data support the spontaneous metal bonding to the composite receptor sites. Theoretical calculations showed that the interaction strength is very strong and gets stronger when the PEG6000 is deprotonated. The results presented here are supported by evidence acquired from experiments. Theoretical computation using Monte Carlo (MC) and Molecular Dynamic (MD) simulation models showed excellent affinity of prepared foams for the model ion $ Pb^{2+} $ with highly negative adsorption energy values indicating vigorous interactions of $ Pb^{2+} $ with the adsorbate surfaces. | ||
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10.1186/s13065-023-01061-7 doi (DE-627)SPR053671465 (SPR)s13065-023-01061-7-e DE-627 ger DE-627 rakwb eng Azzaoui, K. verfasserin aut Synthesis of hydroxyapatite/polyethylene glycol 6000 composites by novel dissolution/precipitation method: optimization of the adsorption process using a factorial design: DFT and molecular dynamic 2023 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2023 Abstract In this work, we presented a synthesis of a composite based on HAp and PEG 6000 using a new method of synthesis dissolution precipitation to be applied for application of wastewater purification from toxic metal ions. Multiple characterization methods were used to analyze the morphology and the structure of the well-prepared compounds including FT-IR, Raman, XRD, XPS, TGA and SEM were used to conduct a composite analysis. The adsorption effectiveness of this analysis towards $ Pb^{2+} $ and various other hazardous metal ions found in sewage was assessed. Batch experiments were conducted to optimize the various operational parameters including adsorbent dose, temperature, pH, contact time, and initial concentration. The Langmuir isotherm was used to fit the data, and it predicted monolayer adsorption with a maximum capacity of 67 mg $ g^{−1} $ for HAP PEG600 and 60 mg $ g^{−1} $ for HAp. A pseudo-second-order equation fits the adsorption process well (0.961–0.971). The thermodynamic data support the spontaneous metal bonding to the composite receptor sites. Theoretical calculations showed that the interaction strength is very strong and gets stronger when the PEG6000 is deprotonated. The results presented here are supported by evidence acquired from experiments. Theoretical computation using Monte Carlo (MC) and Molecular Dynamic (MD) simulation models showed excellent affinity of prepared foams for the model ion $ Pb^{2+} $ with highly negative adsorption energy values indicating vigorous interactions of $ Pb^{2+} $ with the adsorbate surfaces. Hydroxyapatite (dpeaa)DE-He213 Adsorption (dpeaa)DE-He213 Factorial design (dpeaa)DE-He213 Molecular dynamic (dpeaa)DE-He213 Pollution, Precipitation (dpeaa)DE-He213 Jodeh, S. aut Mejdoubi, E. aut Hammouti, B. aut Taleb, M. aut Ennabety, G. aut Berisha, A. aut Aaddouz, M. aut Youssouf, M. H. aut Shityakov, S. aut Sabbahi, R. aut Algarra, M. aut Enthalten in Chemistry central journal London : BioMed Central, 2007 17(2023), 1 vom: 08. Nov. (DE-627)525475176 (DE-600)2272440-0 1752-153X nnns volume:17 year:2023 number:1 day:08 month:11 https://dx.doi.org/10.1186/s13065-023-01061-7 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_22 GBV_ILN_2003 GBV_ILN_2027 GBV_ILN_4305 AR 17 2023 1 08 11 |
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10.1186/s13065-023-01061-7 doi (DE-627)SPR053671465 (SPR)s13065-023-01061-7-e DE-627 ger DE-627 rakwb eng Azzaoui, K. verfasserin aut Synthesis of hydroxyapatite/polyethylene glycol 6000 composites by novel dissolution/precipitation method: optimization of the adsorption process using a factorial design: DFT and molecular dynamic 2023 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2023 Abstract In this work, we presented a synthesis of a composite based on HAp and PEG 6000 using a new method of synthesis dissolution precipitation to be applied for application of wastewater purification from toxic metal ions. Multiple characterization methods were used to analyze the morphology and the structure of the well-prepared compounds including FT-IR, Raman, XRD, XPS, TGA and SEM were used to conduct a composite analysis. The adsorption effectiveness of this analysis towards $ Pb^{2+} $ and various other hazardous metal ions found in sewage was assessed. Batch experiments were conducted to optimize the various operational parameters including adsorbent dose, temperature, pH, contact time, and initial concentration. The Langmuir isotherm was used to fit the data, and it predicted monolayer adsorption with a maximum capacity of 67 mg $ g^{−1} $ for HAP PEG600 and 60 mg $ g^{−1} $ for HAp. A pseudo-second-order equation fits the adsorption process well (0.961–0.971). The thermodynamic data support the spontaneous metal bonding to the composite receptor sites. Theoretical calculations showed that the interaction strength is very strong and gets stronger when the PEG6000 is deprotonated. The results presented here are supported by evidence acquired from experiments. Theoretical computation using Monte Carlo (MC) and Molecular Dynamic (MD) simulation models showed excellent affinity of prepared foams for the model ion $ Pb^{2+} $ with highly negative adsorption energy values indicating vigorous interactions of $ Pb^{2+} $ with the adsorbate surfaces. Hydroxyapatite (dpeaa)DE-He213 Adsorption (dpeaa)DE-He213 Factorial design (dpeaa)DE-He213 Molecular dynamic (dpeaa)DE-He213 Pollution, Precipitation (dpeaa)DE-He213 Jodeh, S. aut Mejdoubi, E. aut Hammouti, B. aut Taleb, M. aut Ennabety, G. aut Berisha, A. aut Aaddouz, M. aut Youssouf, M. H. aut Shityakov, S. aut Sabbahi, R. aut Algarra, M. aut Enthalten in Chemistry central journal London : BioMed Central, 2007 17(2023), 1 vom: 08. Nov. (DE-627)525475176 (DE-600)2272440-0 1752-153X nnns volume:17 year:2023 number:1 day:08 month:11 https://dx.doi.org/10.1186/s13065-023-01061-7 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_22 GBV_ILN_2003 GBV_ILN_2027 GBV_ILN_4305 AR 17 2023 1 08 11 |
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10.1186/s13065-023-01061-7 doi (DE-627)SPR053671465 (SPR)s13065-023-01061-7-e DE-627 ger DE-627 rakwb eng Azzaoui, K. verfasserin aut Synthesis of hydroxyapatite/polyethylene glycol 6000 composites by novel dissolution/precipitation method: optimization of the adsorption process using a factorial design: DFT and molecular dynamic 2023 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2023 Abstract In this work, we presented a synthesis of a composite based on HAp and PEG 6000 using a new method of synthesis dissolution precipitation to be applied for application of wastewater purification from toxic metal ions. Multiple characterization methods were used to analyze the morphology and the structure of the well-prepared compounds including FT-IR, Raman, XRD, XPS, TGA and SEM were used to conduct a composite analysis. The adsorption effectiveness of this analysis towards $ Pb^{2+} $ and various other hazardous metal ions found in sewage was assessed. Batch experiments were conducted to optimize the various operational parameters including adsorbent dose, temperature, pH, contact time, and initial concentration. The Langmuir isotherm was used to fit the data, and it predicted monolayer adsorption with a maximum capacity of 67 mg $ g^{−1} $ for HAP PEG600 and 60 mg $ g^{−1} $ for HAp. A pseudo-second-order equation fits the adsorption process well (0.961–0.971). The thermodynamic data support the spontaneous metal bonding to the composite receptor sites. Theoretical calculations showed that the interaction strength is very strong and gets stronger when the PEG6000 is deprotonated. The results presented here are supported by evidence acquired from experiments. Theoretical computation using Monte Carlo (MC) and Molecular Dynamic (MD) simulation models showed excellent affinity of prepared foams for the model ion $ Pb^{2+} $ with highly negative adsorption energy values indicating vigorous interactions of $ Pb^{2+} $ with the adsorbate surfaces. Hydroxyapatite (dpeaa)DE-He213 Adsorption (dpeaa)DE-He213 Factorial design (dpeaa)DE-He213 Molecular dynamic (dpeaa)DE-He213 Pollution, Precipitation (dpeaa)DE-He213 Jodeh, S. aut Mejdoubi, E. aut Hammouti, B. aut Taleb, M. aut Ennabety, G. aut Berisha, A. aut Aaddouz, M. aut Youssouf, M. H. aut Shityakov, S. aut Sabbahi, R. aut Algarra, M. aut Enthalten in Chemistry central journal London : BioMed Central, 2007 17(2023), 1 vom: 08. Nov. (DE-627)525475176 (DE-600)2272440-0 1752-153X nnns volume:17 year:2023 number:1 day:08 month:11 https://dx.doi.org/10.1186/s13065-023-01061-7 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_22 GBV_ILN_2003 GBV_ILN_2027 GBV_ILN_4305 AR 17 2023 1 08 11 |
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10.1186/s13065-023-01061-7 doi (DE-627)SPR053671465 (SPR)s13065-023-01061-7-e DE-627 ger DE-627 rakwb eng Azzaoui, K. verfasserin aut Synthesis of hydroxyapatite/polyethylene glycol 6000 composites by novel dissolution/precipitation method: optimization of the adsorption process using a factorial design: DFT and molecular dynamic 2023 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2023 Abstract In this work, we presented a synthesis of a composite based on HAp and PEG 6000 using a new method of synthesis dissolution precipitation to be applied for application of wastewater purification from toxic metal ions. Multiple characterization methods were used to analyze the morphology and the structure of the well-prepared compounds including FT-IR, Raman, XRD, XPS, TGA and SEM were used to conduct a composite analysis. The adsorption effectiveness of this analysis towards $ Pb^{2+} $ and various other hazardous metal ions found in sewage was assessed. Batch experiments were conducted to optimize the various operational parameters including adsorbent dose, temperature, pH, contact time, and initial concentration. The Langmuir isotherm was used to fit the data, and it predicted monolayer adsorption with a maximum capacity of 67 mg $ g^{−1} $ for HAP PEG600 and 60 mg $ g^{−1} $ for HAp. A pseudo-second-order equation fits the adsorption process well (0.961–0.971). The thermodynamic data support the spontaneous metal bonding to the composite receptor sites. Theoretical calculations showed that the interaction strength is very strong and gets stronger when the PEG6000 is deprotonated. The results presented here are supported by evidence acquired from experiments. Theoretical computation using Monte Carlo (MC) and Molecular Dynamic (MD) simulation models showed excellent affinity of prepared foams for the model ion $ Pb^{2+} $ with highly negative adsorption energy values indicating vigorous interactions of $ Pb^{2+} $ with the adsorbate surfaces. Hydroxyapatite (dpeaa)DE-He213 Adsorption (dpeaa)DE-He213 Factorial design (dpeaa)DE-He213 Molecular dynamic (dpeaa)DE-He213 Pollution, Precipitation (dpeaa)DE-He213 Jodeh, S. aut Mejdoubi, E. aut Hammouti, B. aut Taleb, M. aut Ennabety, G. aut Berisha, A. aut Aaddouz, M. aut Youssouf, M. H. aut Shityakov, S. aut Sabbahi, R. aut Algarra, M. aut Enthalten in Chemistry central journal London : BioMed Central, 2007 17(2023), 1 vom: 08. Nov. (DE-627)525475176 (DE-600)2272440-0 1752-153X nnns volume:17 year:2023 number:1 day:08 month:11 https://dx.doi.org/10.1186/s13065-023-01061-7 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_22 GBV_ILN_2003 GBV_ILN_2027 GBV_ILN_4305 AR 17 2023 1 08 11 |
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10.1186/s13065-023-01061-7 doi (DE-627)SPR053671465 (SPR)s13065-023-01061-7-e DE-627 ger DE-627 rakwb eng Azzaoui, K. verfasserin aut Synthesis of hydroxyapatite/polyethylene glycol 6000 composites by novel dissolution/precipitation method: optimization of the adsorption process using a factorial design: DFT and molecular dynamic 2023 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2023 Abstract In this work, we presented a synthesis of a composite based on HAp and PEG 6000 using a new method of synthesis dissolution precipitation to be applied for application of wastewater purification from toxic metal ions. Multiple characterization methods were used to analyze the morphology and the structure of the well-prepared compounds including FT-IR, Raman, XRD, XPS, TGA and SEM were used to conduct a composite analysis. The adsorption effectiveness of this analysis towards $ Pb^{2+} $ and various other hazardous metal ions found in sewage was assessed. Batch experiments were conducted to optimize the various operational parameters including adsorbent dose, temperature, pH, contact time, and initial concentration. The Langmuir isotherm was used to fit the data, and it predicted monolayer adsorption with a maximum capacity of 67 mg $ g^{−1} $ for HAP PEG600 and 60 mg $ g^{−1} $ for HAp. A pseudo-second-order equation fits the adsorption process well (0.961–0.971). The thermodynamic data support the spontaneous metal bonding to the composite receptor sites. Theoretical calculations showed that the interaction strength is very strong and gets stronger when the PEG6000 is deprotonated. The results presented here are supported by evidence acquired from experiments. Theoretical computation using Monte Carlo (MC) and Molecular Dynamic (MD) simulation models showed excellent affinity of prepared foams for the model ion $ Pb^{2+} $ with highly negative adsorption energy values indicating vigorous interactions of $ Pb^{2+} $ with the adsorbate surfaces. Hydroxyapatite (dpeaa)DE-He213 Adsorption (dpeaa)DE-He213 Factorial design (dpeaa)DE-He213 Molecular dynamic (dpeaa)DE-He213 Pollution, Precipitation (dpeaa)DE-He213 Jodeh, S. aut Mejdoubi, E. aut Hammouti, B. aut Taleb, M. aut Ennabety, G. aut Berisha, A. aut Aaddouz, M. aut Youssouf, M. H. aut Shityakov, S. aut Sabbahi, R. aut Algarra, M. aut Enthalten in Chemistry central journal London : BioMed Central, 2007 17(2023), 1 vom: 08. Nov. (DE-627)525475176 (DE-600)2272440-0 1752-153X nnns volume:17 year:2023 number:1 day:08 month:11 https://dx.doi.org/10.1186/s13065-023-01061-7 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_22 GBV_ILN_2003 GBV_ILN_2027 GBV_ILN_4305 AR 17 2023 1 08 11 |
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Azzaoui, K. misc Hydroxyapatite misc Adsorption misc Factorial design misc Molecular dynamic misc Pollution, Precipitation Synthesis of hydroxyapatite/polyethylene glycol 6000 composites by novel dissolution/precipitation method: optimization of the adsorption process using a factorial design: DFT and molecular dynamic |
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Synthesis of hydroxyapatite/polyethylene glycol 6000 composites by novel dissolution/precipitation method: optimization of the adsorption process using a factorial design: DFT and molecular dynamic Hydroxyapatite (dpeaa)DE-He213 Adsorption (dpeaa)DE-He213 Factorial design (dpeaa)DE-He213 Molecular dynamic (dpeaa)DE-He213 Pollution, Precipitation (dpeaa)DE-He213 |
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Azzaoui, K. Jodeh, S. Mejdoubi, E. Hammouti, B. Taleb, M. Ennabety, G. Berisha, A. Aaddouz, M. Youssouf, M. H. Shityakov, S. Sabbahi, R. Algarra, M. |
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synthesis of hydroxyapatite/polyethylene glycol 6000 composites by novel dissolution/precipitation method: optimization of the adsorption process using a factorial design: dft and molecular dynamic |
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Synthesis of hydroxyapatite/polyethylene glycol 6000 composites by novel dissolution/precipitation method: optimization of the adsorption process using a factorial design: DFT and molecular dynamic |
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Abstract In this work, we presented a synthesis of a composite based on HAp and PEG 6000 using a new method of synthesis dissolution precipitation to be applied for application of wastewater purification from toxic metal ions. Multiple characterization methods were used to analyze the morphology and the structure of the well-prepared compounds including FT-IR, Raman, XRD, XPS, TGA and SEM were used to conduct a composite analysis. The adsorption effectiveness of this analysis towards $ Pb^{2+} $ and various other hazardous metal ions found in sewage was assessed. Batch experiments were conducted to optimize the various operational parameters including adsorbent dose, temperature, pH, contact time, and initial concentration. The Langmuir isotherm was used to fit the data, and it predicted monolayer adsorption with a maximum capacity of 67 mg $ g^{−1} $ for HAP PEG600 and 60 mg $ g^{−1} $ for HAp. A pseudo-second-order equation fits the adsorption process well (0.961–0.971). The thermodynamic data support the spontaneous metal bonding to the composite receptor sites. Theoretical calculations showed that the interaction strength is very strong and gets stronger when the PEG6000 is deprotonated. The results presented here are supported by evidence acquired from experiments. Theoretical computation using Monte Carlo (MC) and Molecular Dynamic (MD) simulation models showed excellent affinity of prepared foams for the model ion $ Pb^{2+} $ with highly negative adsorption energy values indicating vigorous interactions of $ Pb^{2+} $ with the adsorbate surfaces. © The Author(s) 2023 |
| abstractGer |
Abstract In this work, we presented a synthesis of a composite based on HAp and PEG 6000 using a new method of synthesis dissolution precipitation to be applied for application of wastewater purification from toxic metal ions. Multiple characterization methods were used to analyze the morphology and the structure of the well-prepared compounds including FT-IR, Raman, XRD, XPS, TGA and SEM were used to conduct a composite analysis. The adsorption effectiveness of this analysis towards $ Pb^{2+} $ and various other hazardous metal ions found in sewage was assessed. Batch experiments were conducted to optimize the various operational parameters including adsorbent dose, temperature, pH, contact time, and initial concentration. The Langmuir isotherm was used to fit the data, and it predicted monolayer adsorption with a maximum capacity of 67 mg $ g^{−1} $ for HAP PEG600 and 60 mg $ g^{−1} $ for HAp. A pseudo-second-order equation fits the adsorption process well (0.961–0.971). The thermodynamic data support the spontaneous metal bonding to the composite receptor sites. Theoretical calculations showed that the interaction strength is very strong and gets stronger when the PEG6000 is deprotonated. The results presented here are supported by evidence acquired from experiments. Theoretical computation using Monte Carlo (MC) and Molecular Dynamic (MD) simulation models showed excellent affinity of prepared foams for the model ion $ Pb^{2+} $ with highly negative adsorption energy values indicating vigorous interactions of $ Pb^{2+} $ with the adsorbate surfaces. © The Author(s) 2023 |
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Abstract In this work, we presented a synthesis of a composite based on HAp and PEG 6000 using a new method of synthesis dissolution precipitation to be applied for application of wastewater purification from toxic metal ions. Multiple characterization methods were used to analyze the morphology and the structure of the well-prepared compounds including FT-IR, Raman, XRD, XPS, TGA and SEM were used to conduct a composite analysis. The adsorption effectiveness of this analysis towards $ Pb^{2+} $ and various other hazardous metal ions found in sewage was assessed. Batch experiments were conducted to optimize the various operational parameters including adsorbent dose, temperature, pH, contact time, and initial concentration. The Langmuir isotherm was used to fit the data, and it predicted monolayer adsorption with a maximum capacity of 67 mg $ g^{−1} $ for HAP PEG600 and 60 mg $ g^{−1} $ for HAp. A pseudo-second-order equation fits the adsorption process well (0.961–0.971). The thermodynamic data support the spontaneous metal bonding to the composite receptor sites. Theoretical calculations showed that the interaction strength is very strong and gets stronger when the PEG6000 is deprotonated. The results presented here are supported by evidence acquired from experiments. Theoretical computation using Monte Carlo (MC) and Molecular Dynamic (MD) simulation models showed excellent affinity of prepared foams for the model ion $ Pb^{2+} $ with highly negative adsorption energy values indicating vigorous interactions of $ Pb^{2+} $ with the adsorbate surfaces. © The Author(s) 2023 |
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