Thermochemical study for remediation of highly concentrated acid spill : Computational modeling and experimental validation
Copyright © 2020 Elsevier Ltd. All rights reserved..
The release of concentrated acid solutions by chemical accidents is disastrous to our environmental integrity. Alkaline agents applied to remedy the acid spill catastrophe may lead to secondary damages such as vaporization or spread out of the fumes unless substantial amount of neutralization heat is properly controlled. Using a rigorous thermodynamic formalism proposed by Pitzer to account short-range ion interactions and various subsidiary reactions, we develop a systematic computational model enabling quantitative prediction of reaction heat and the temperature change over neutralization of strongly concentrated acid solutions. We apply this model to four acid solutions (HCl, HNO3, H2SO4, and HF) of each 3 M-equivalent concentration with two neutralizing agents of calcium hydroxide (Ca(OH)2) and sodium bicarbonate (NaHCO3). Predicted reaction heat and temperature are remarkably consistent with the outcomes measured by our own experiments, showing a linear correlation factor R2 greater than 0.98. We apply the model to extremely concentrated acid solutions as high as 50 wt% where an experimental approach is practically restricted. In contrast to the extremely exothermic Ca(OH)2 agent, NaHCO3 even lowers solution temperatures after neutralization reactions. Our model enables us to identify a promising neutralizer NaHCO3 for effectively controlling concentrated acid spills and may be useful for establishment of proper strategy for other chemical accidents.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2020 |
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| Erschienen: |
2020 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:247 |
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| Enthalten in: |
Chemosphere - 247(2020) vom: 15. Mai, Seite 126098 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Jung, Hyunwook [VerfasserIn] |
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| Links: |
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| Themen: |
8MDF5V39QO |
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| Anmerkungen: |
Date Completed 11.05.2020 Date Revised 11.05.2020 published: Print-Electronic Citation Status MEDLINE |
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| doi: |
10.1016/j.chemosphere.2020.126098 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM306808706 |
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| 100 | 1 | |a Jung, Hyunwook |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Thermochemical study for remediation of highly concentrated acid spill |b Computational modeling and experimental validation |
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| 500 | |a Date Revised 11.05.2020 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status MEDLINE | ||
| 520 | |a Copyright © 2020 Elsevier Ltd. All rights reserved. | ||
| 520 | |a The release of concentrated acid solutions by chemical accidents is disastrous to our environmental integrity. Alkaline agents applied to remedy the acid spill catastrophe may lead to secondary damages such as vaporization or spread out of the fumes unless substantial amount of neutralization heat is properly controlled. Using a rigorous thermodynamic formalism proposed by Pitzer to account short-range ion interactions and various subsidiary reactions, we develop a systematic computational model enabling quantitative prediction of reaction heat and the temperature change over neutralization of strongly concentrated acid solutions. We apply this model to four acid solutions (HCl, HNO3, H2SO4, and HF) of each 3 M-equivalent concentration with two neutralizing agents of calcium hydroxide (Ca(OH)2) and sodium bicarbonate (NaHCO3). Predicted reaction heat and temperature are remarkably consistent with the outcomes measured by our own experiments, showing a linear correlation factor R2 greater than 0.98. We apply the model to extremely concentrated acid solutions as high as 50 wt% where an experimental approach is practically restricted. In contrast to the extremely exothermic Ca(OH)2 agent, NaHCO3 even lowers solution temperatures after neutralization reactions. Our model enables us to identify a promising neutralizer NaHCO3 for effectively controlling concentrated acid spills and may be useful for establishment of proper strategy for other chemical accidents | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Calcium hydroxide | |
| 650 | 4 | |a Pitzer model | |
| 650 | 4 | |a Sodium bicarbonate | |
| 650 | 4 | |a Spill remediation | |
| 650 | 4 | |a concentrated acid | |
| 650 | 7 | |a Acids |2 NLM | |
| 650 | 7 | |a Sodium Bicarbonate |2 NLM | |
| 650 | 7 | |a 8MDF5V39QO |2 NLM | |
| 650 | 7 | |a Calcium Hydroxide |2 NLM | |
| 650 | 7 | |a PF5DZW74VN |2 NLM | |
| 700 | 1 | |a Shin, Taesub |e verfasserin |4 aut | |
| 700 | 1 | |a Cho, Namjun |e verfasserin |4 aut | |
| 700 | 1 | |a Kim, Tae-Kyung |e verfasserin |4 aut | |
| 700 | 1 | |a Kim, Jongwoon |e verfasserin |4 aut | |
| 700 | 1 | |a Ryu, Tae In |e verfasserin |4 aut | |
| 700 | 1 | |a Song, Ki Bong |e verfasserin |4 aut | |
| 700 | 1 | |a Hwang, Seung-Ryul |e verfasserin |4 aut | |
| 700 | 1 | |a Ryu, Beyong-Hwan |e verfasserin |4 aut | |
| 700 | 1 | |a Han, Byungchan |e verfasserin |4 aut | |
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