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Environmental Fate and Behavior of Arsenate and Phosphate in Soil and Water based on the Surface Complexation at Iron (Hydr)oxides by DFT Calculation and ATR-FTIR and XAFS Spectroscopy : 토양 및 수계 환경에서 비산염과 인산염 거동 예측을 위한 철(수)산화물 표면 결합구조의 DFT, ATR-FTIR 및 XAFS 분광학적 해석

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dc.contributor.advisor노희명-
dc.contributor.author한준호-
dc.date.accessioned2018-11-12T00:56:32Z-
dc.date.available2018-11-12T00:56:32Z-
dc.date.issued2018-08-
dc.identifier.other000000152930-
dc.identifier.urihttps://hdl.handle.net/10371/143111-
dc.description학위논문 (박사)-- 서울대학교 대학원 : 농업생명과학대학 농생명공학부, 2018. 8. 노희명.-
dc.description.abstractOxyanions are key components of organism, and mutual interaction among oxyanions, organic acids, and metal (hydr)oxides determines the bioavailability and leacheability of the oxyanion in the soil environment. The structural configuration, competition, and preferential sorption control the behaviors of oxyanions but it has not fully understood under various environmental fluctuations yet. In this study, previous studies were reviewed on the iron (hydr)oxides transformation and structural configuration, competitive sorption, and preferential sorption of oxyanions. The structural configuration of oxyanions by changing the pH and surface loading condition was studied, and the competitive and preferential sorption were examined by employing bi-sorbate system or bi-sorbent system. As a result, the EXAFS study identified tridentate complex of arsenate on a goethite surface at low pH and surface loading condition, and a bidentate and monodentate complex were observed at high pH and surface loading condition. Langmuir isotherm with batch experiment examined that the arsenate is more preferentially adsorbed at low pH on four synthetic iron (hydr)oxides but vice versa in the phosphate (bi-sorbate system). The sequential development of promotive effect and competition was observed by increasing the surface loading in the bi-sorbate system. In the bisorbent experiment, the preferential adsorption of phosphate on the maghemite over the goethite was firstly identified using ATR-FTIR and FE-SEM-EDS. Based on our observation, it was concluded that the environmental conditions such as pH, surface loading, sample phase, competitor concentration and type of available surface determines not only the structural configuration, competitive and preferential sorption of oxyanions, but also the transformation of iron (hydr)oxides, and the complexly inter-connected mechanism determines the behavior of oxyanions in the soil environment. I believe that the bottom-up approach from simplest system to the more complex system would eventually explain the adsorption characteristics of all types of soils, and the environmental problems would be diminished by controlling the bioavailability and leachability.-
dc.description.tableofcontentsABSTRACT ........................................................................................................... i

LIST OF CONTENTS ........................................................................................ iii

LIST OF TABLES AND FIGURES ................................................................... v

LIST OF ABBREVIATIONS ............................................................................. x

CHAPTER 1. GENERAL INTRODUCTION ............................................... 1-1

1.1. Oxyanion in the soil environment ............................................................ 1-1

1.2. Iron (hydr)oxide as a key sorbent ............................................................. 1-6

1.3. Bioavailability in the rhizosphere ............................................................. 1-9

1.4. Importance of a structural configuration ................................................ 1-10

1.5. Analytical technique for interfacial measurement .................................. 1-13

1.6. Aims of dissertation ................................................................................ 1-14

References ..................................................................................................... 1-16

CHAPTER 2. LITERATURE REVIEW ........................................................ 2-1

List of contents ................................................................................................ 2-1

Abstract ............................................................................................................ 2-2

2.1. Introduction .............................................................................................. 2-4

2.2. Abundance and transformation of iron (hydr)oxides ............................... 2-7

2.3. Structural configuration .......................................................................... 2-20

2.4. Competitive sorption .............................................................................. 2-45

2.5. Conclusions ............................................................................................ 2-64

References ..................................................................................................... 2-70

CHAPTER 3. EXPERIMENTAL PROCEDURE ......................................... 3-1

List of contents ................................................................................................ 3-1

Abstract ............................................................................................................ 3-2

3.1. Introduction .............................................................................................. 3-3

3.2. Theoretical calculation using computational chemistry ........................... 3-5

3.3. Experimental measurement using ATR-FTIR .......................................... 3-8

3.4. Spectral interpretation of ATR-FTIR ..................................................... 3-23

3.5. Experimental measurement using XAS .................................................. 3-35

3.6. Spectral interpretation of XAS ............................................................... 3-40

3.7. Sorbent characterization ......................................................................... 3-44

References ..................................................................................................... 3-48

CHAPTER 4. IDENTIFICATION OF BERNALITE TRANSFORMATION

AND TRIDENTATE ARSENATE COMPLEX AT NANO-GOETHITE

UNDER DRYING, PH AND SURFACE LOADING .................................... 4-1

List of contents ................................................................................................ 4-1

Abstract ............................................................................................................ 4-2

4.1. Introduction .............................................................................................. 4-3

4.2. Material and methods ............................................................................... 4-5

4.3. Result and discussion .............................................................................. 4-17

4.4. Environmental implication ..................................................................... 4-49

References ..................................................................................................... 4-53

CHAPTER 5. INTERPRETING COMPETITIVE ADSORPTION OF

ARSENATE AND PHOSPHATE ON SYNTHETIC NANO-IRON

(HYDR)OXIDES: EFFECT OF PH AND SURFACE LOADING .............. 5-1

List of contents ................................................................................................ 5-1

Abstract ............................................................................................................ 5-2

5.1. Introduction .............................................................................................. 5-4

5.2. Material and methods ............................................................................... 5-6

5.3. Result and discussion .............................................................................. 5-14

5.4. Conclusion .............................................................................................. 5-41

References ..................................................................................................... 5-43

CHAPTER 6. CHARACTERIZING PREFERENTIAL ADSORPTION OF

PHOSPHATE ON BINARY SORBENTS OF GOETHITE AND

MAGHEMITE SURFACE USING in situ ATR-FTIR AND FE-SEM/EDS . 6-1

List of contents ................................................................................................ 6-1

Abstract ............................................................................................................ 6-2

6.1. Introduction .............................................................................................. 6-3

6.2. Material and methods ............................................................................... 6-5

6.3. Result and discussion .............................................................................. 6-19

6.4. Conclusion .............................................................................................. 6-41

References ..................................................................................................... 6-47

CHAPTER 7. SUMMARY AND CONCLUSION ......................................... 7-1

7.1. Summary ................................................................................................... 7-2

7.2. Conclusion ................................................................................................ 7-5

ABSTRACT IN KOREAN ................................................................................. xi

LIST OF PUBLICATION ................................................................................. xii

ACKNOWLEDGEMENT ................................................................................ xiii		-
dc.language.isoen-
dc.publisher서울대학교 대학원-
dc.subject.ddc630-
dc.titleEnvironmental Fate and Behavior of Arsenate and Phosphate in Soil and Water based on the Surface Complexation at Iron (Hydr)oxides by DFT Calculation and ATR-FTIR and XAFS Spectroscopy-
dc.title.alternative토양 및 수계 환경에서 비산염과 인산염 거동 예측을 위한 철(수)산화물 표면 결합구조의 DFT, ATR-FTIR 및 XAFS 분광학적 해석-
dc.typeThesis-
dc.description.degreeDoctor-
dc.contributor.affiliation농업생명과학대학 농생명공학부-
dc.date.awarded2018-08-
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