Advanced thermodynamic approach to adsorption of charged adsorbates from aqueous electrolyte solutions
Само за регистроване кориснике
2024
Аутори
Ivanović, TijanaPopović, Daniela Ž.
Miladinović, Jelena
Miladinović, Zoran P.
Rajaković-Ognjanović, Vladana N.
Pastor, Ferenc
Mladenović, Anja
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
This study present estimation of the thermodynamic parameters and the influence of ionic activity coefficient on the thermodynamic equilibrium constant of adsorption of phosphates on fly ash. The adsorption was conducted over a wide range of initial phosphate concentrations at different pH values pH = (3; 7; 10). The adsorption results were treated using the Langmuir, Freundlich and Sips adsorption isotherms, which provide information about the maximum adsorption capacity. The Langmuir and Sips isotherms were a satisfactory fit to the adsorption data, especially at pH = 3, with an acceptable regression coefficient over the entire concentration range, Langmuir (r2 = 0.9737) and Sips (r2 = 0.9969). The estimated maximum phosphate sorption capacity of fly ash was 6.21 ± 0.68 (mmol·g−1) according to Langmuir and 4.19 ± 0.16 (mmol·g−1) according to the Sips model, at pH = 3.0. However, there is no data in the published literature for estimating the thermodynamic parameters of the phosphate ...adsorption process using thermodynamic models for activity coefficients. Novel approach of this paper was determination of the thermodynamic equilibrium constant and Gibbs free energy, using the Pitzer ion-interaction model to predict the nature of adsorption. The Pitzer-ion interaction model was used for the mixed ionic systems, taking into consideration the effect of other present ions besides phosphates in the equilibrium solution resulting from fly ash desorption. The procedure for comprehensive estimation of the ion activity coefficient at maximum adsorption capacity and the dimensionless thermodynamic equilibrium constant using Langmuir's and Sips's constants was presented. The calculated value of the phosphate activity coefficient in the equilibrium solution was γH = 0.7003 ± 0.0027 and the converted molar activity coefficient was γH = 0.6903 ± 0.0027. The estimated values of Gibbs free energy were: ΔGL = −6.788 ± 0.521 kJ·mol−1 based on Langmuir equilibrium constant and ΔGa = −7.707 ± 0.527 kJ·mol−1 based on activity and thermodynamic equilibrium constant. According to Sips model, the adsorption process is even more spontaneous, with the Gibbs free energy calculated using the phosphate activity coefficient and the thermodynamic equilibrium constant, ΔGa = −9.707 ± 0.617 kJ·mol−1. Consideration of the ionic activity coefficient is particularly important for large, charged adsorbates at higher concentrations, as the absolute difference in free energy for adsorption is app. 12 %. The scientific contribution is reflected in obtaining the necessary and more accurate information for the improvement of adsorption processes and possibly for the upgrading of fly ash in overall wastewater treatment technology.
Кључне речи:
Activity coefficient / Adsorption / Fly ash / Phosphates / Pitzer's model / Thermodynamic modellingИзвор:
Journal of Molecular Liquids, 03-2024, 397, 124097-Издавач:
- Elsevier B.V.
Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200053 (Универзитет у Београду, Институт за мултидисциплинарна истраживања) (RS-MESTD-inst-2020-200053)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200135 (Универзитет у Београду, Технолошко-металуршки факултет) (RS-MESTD-inst-2020-200135)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200287 (Иновациони центар Технолошко-металуршког факултета у Београду доо) (RS-MESTD-inst-2020-200287)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200051 (Институт за општу и физичку хемију, Београд) (RS-MESTD-inst-2020-200051)
- Ø-Waste-Water - Zero-waste concept for flood resilient cities (RS-ScienceFundRS-Ideje-7737365)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200092 (Универзитет у Београду, Грађевински факултет) (RS-MESTD-inst-2020-200092)
Напомена:
- Supplementary information: https://technorep.tmf.bg.ac.rs/handle/123456789/7332
Повезане информације:
Колекције
Институција/група
Inovacioni centarTY - JOUR AU - Ivanović, Tijana AU - Popović, Daniela Ž. AU - Miladinović, Jelena AU - Miladinović, Zoran P. AU - Rajaković-Ognjanović, Vladana N. AU - Pastor, Ferenc AU - Mladenović, Anja PY - 2024-03 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/7259 AB - This study present estimation of the thermodynamic parameters and the influence of ionic activity coefficient on the thermodynamic equilibrium constant of adsorption of phosphates on fly ash. The adsorption was conducted over a wide range of initial phosphate concentrations at different pH values pH = (3; 7; 10). The adsorption results were treated using the Langmuir, Freundlich and Sips adsorption isotherms, which provide information about the maximum adsorption capacity. The Langmuir and Sips isotherms were a satisfactory fit to the adsorption data, especially at pH = 3, with an acceptable regression coefficient over the entire concentration range, Langmuir (r2 = 0.9737) and Sips (r2 = 0.9969). The estimated maximum phosphate sorption capacity of fly ash was 6.21 ± 0.68 (mmol·g−1) according to Langmuir and 4.19 ± 0.16 (mmol·g−1) according to the Sips model, at pH = 3.0. However, there is no data in the published literature for estimating the thermodynamic parameters of the phosphate adsorption process using thermodynamic models for activity coefficients. Novel approach of this paper was determination of the thermodynamic equilibrium constant and Gibbs free energy, using the Pitzer ion-interaction model to predict the nature of adsorption. The Pitzer-ion interaction model was used for the mixed ionic systems, taking into consideration the effect of other present ions besides phosphates in the equilibrium solution resulting from fly ash desorption. The procedure for comprehensive estimation of the ion activity coefficient at maximum adsorption capacity and the dimensionless thermodynamic equilibrium constant using Langmuir's and Sips's constants was presented. The calculated value of the phosphate activity coefficient in the equilibrium solution was γH = 0.7003 ± 0.0027 and the converted molar activity coefficient was γH = 0.6903 ± 0.0027. The estimated values of Gibbs free energy were: ΔGL = −6.788 ± 0.521 kJ·mol−1 based on Langmuir equilibrium constant and ΔGa = −7.707 ± 0.527 kJ·mol−1 based on activity and thermodynamic equilibrium constant. According to Sips model, the adsorption process is even more spontaneous, with the Gibbs free energy calculated using the phosphate activity coefficient and the thermodynamic equilibrium constant, ΔGa = −9.707 ± 0.617 kJ·mol−1. Consideration of the ionic activity coefficient is particularly important for large, charged adsorbates at higher concentrations, as the absolute difference in free energy for adsorption is app. 12 %. The scientific contribution is reflected in obtaining the necessary and more accurate information for the improvement of adsorption processes and possibly for the upgrading of fly ash in overall wastewater treatment technology. PB - Elsevier B.V. T2 - Journal of Molecular Liquids T1 - Advanced thermodynamic approach to adsorption of charged adsorbates from aqueous electrolyte solutions SP - 124097 VL - 397 DO - 10.1016/j.molliq.2024.124097 ER -
@article{ author = "Ivanović, Tijana and Popović, Daniela Ž. and Miladinović, Jelena and Miladinović, Zoran P. and Rajaković-Ognjanović, Vladana N. and Pastor, Ferenc and Mladenović, Anja", year = "2024-03", abstract = "This study present estimation of the thermodynamic parameters and the influence of ionic activity coefficient on the thermodynamic equilibrium constant of adsorption of phosphates on fly ash. The adsorption was conducted over a wide range of initial phosphate concentrations at different pH values pH = (3; 7; 10). The adsorption results were treated using the Langmuir, Freundlich and Sips adsorption isotherms, which provide information about the maximum adsorption capacity. The Langmuir and Sips isotherms were a satisfactory fit to the adsorption data, especially at pH = 3, with an acceptable regression coefficient over the entire concentration range, Langmuir (r2 = 0.9737) and Sips (r2 = 0.9969). The estimated maximum phosphate sorption capacity of fly ash was 6.21 ± 0.68 (mmol·g−1) according to Langmuir and 4.19 ± 0.16 (mmol·g−1) according to the Sips model, at pH = 3.0. However, there is no data in the published literature for estimating the thermodynamic parameters of the phosphate adsorption process using thermodynamic models for activity coefficients. Novel approach of this paper was determination of the thermodynamic equilibrium constant and Gibbs free energy, using the Pitzer ion-interaction model to predict the nature of adsorption. The Pitzer-ion interaction model was used for the mixed ionic systems, taking into consideration the effect of other present ions besides phosphates in the equilibrium solution resulting from fly ash desorption. The procedure for comprehensive estimation of the ion activity coefficient at maximum adsorption capacity and the dimensionless thermodynamic equilibrium constant using Langmuir's and Sips's constants was presented. The calculated value of the phosphate activity coefficient in the equilibrium solution was γH = 0.7003 ± 0.0027 and the converted molar activity coefficient was γH = 0.6903 ± 0.0027. The estimated values of Gibbs free energy were: ΔGL = −6.788 ± 0.521 kJ·mol−1 based on Langmuir equilibrium constant and ΔGa = −7.707 ± 0.527 kJ·mol−1 based on activity and thermodynamic equilibrium constant. According to Sips model, the adsorption process is even more spontaneous, with the Gibbs free energy calculated using the phosphate activity coefficient and the thermodynamic equilibrium constant, ΔGa = −9.707 ± 0.617 kJ·mol−1. Consideration of the ionic activity coefficient is particularly important for large, charged adsorbates at higher concentrations, as the absolute difference in free energy for adsorption is app. 12 %. The scientific contribution is reflected in obtaining the necessary and more accurate information for the improvement of adsorption processes and possibly for the upgrading of fly ash in overall wastewater treatment technology.", publisher = "Elsevier B.V.", journal = "Journal of Molecular Liquids", title = "Advanced thermodynamic approach to adsorption of charged adsorbates from aqueous electrolyte solutions", pages = "124097", volume = "397", doi = "10.1016/j.molliq.2024.124097" }
Ivanović, T., Popović, D. Ž., Miladinović, J., Miladinović, Z. P., Rajaković-Ognjanović, V. N., Pastor, F.,& Mladenović, A.. (2024-03). Advanced thermodynamic approach to adsorption of charged adsorbates from aqueous electrolyte solutions. in Journal of Molecular Liquids Elsevier B.V.., 397, 124097. https://doi.org/10.1016/j.molliq.2024.124097
Ivanović T, Popović DŽ, Miladinović J, Miladinović ZP, Rajaković-Ognjanović VN, Pastor F, Mladenović A. Advanced thermodynamic approach to adsorption of charged adsorbates from aqueous electrolyte solutions. in Journal of Molecular Liquids. 2024;397:124097. doi:10.1016/j.molliq.2024.124097 .
Ivanović, Tijana, Popović, Daniela Ž., Miladinović, Jelena, Miladinović, Zoran P., Rajaković-Ognjanović, Vladana N., Pastor, Ferenc, Mladenović, Anja, "Advanced thermodynamic approach to adsorption of charged adsorbates from aqueous electrolyte solutions" in Journal of Molecular Liquids, 397 (2024-03):124097, https://doi.org/10.1016/j.molliq.2024.124097 . .