基于1.4 μm红外光谱测量磷灰石结构水的定量方法探讨

doi:10.11867/j.issn.1001-8166.2016.04.0403.

地球科学进展 ›› 2016, Vol. 31 ›› Issue (4): 403 -408. doi: 10.11867/j.issn.1001-8166.2016.04.0403.

陈林 ^1, ²(

), 唐红 ^1,,A; ^*(

), 李雄耀 ¹, 欧阳自远 ¹, 王世杰 ³

1.中国科学院地球化学研究所月球与行星科学研究中心,贵州贵阳 550081
2.中国科学院大学,北京 100049
3.中国科学院地球化学研究所环境地球化学国家重点实验室,贵州贵阳 550081

收稿日期:2016-01-30 修回日期:2016-03-15 出版日期:2016-04-20
通讯作者: 唐红 E-mail:chenlin@mail.gyig.ac.cn;tanghong@mail.gyig.ac.cn
基金资助:
国家自然科学基金项目“太阳风注入月表斜长石所生成水的形态和热稳定性模拟研究”(编号:41403057);贵州省科学技术基金项目“月表红外探测水赋存状态的模拟研究”(编号:黔科合J字[2013]2288号)资助

The Quantitative IR Spectroscopic Determination of OH in Apatite Based on 1.4 μm

Lin Chen ^1, ²( ), Hong Tang ¹( ), Xiongyao Li ¹, Ziyuan Ouyang ¹, Shijie Wang ³

1.Lunar and Planetary Science Research Center, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550081,China
2.University of Chinese Academy of Sciences, Beijing 100049,China
3.State Key Laboratory of Environmental Geochemistry, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550081,China

Received:2016-01-30 Revised:2016-03-15 Online:2016-04-20 Published:2016-04-10
About author:
First author:Chen Lin(1990-), male, Chengdu City, Sichuan Province, Master student.Research area include Lunar and Planetary Sciences.E-mail:chenlin@mail.gyig.ac.cn

Corresponding author:Tang Hong(1984-), female, Neijiang City, SichuanProvince, Associate Professor.Research area include lunar and planetary sciences.E-mail:tanghong@mail.gyig.ac.cn
Supported by:
Project supported by the National Natural Science Foundation of China “The form and thermal stability of water in lunar plagioclase by solar wind implantation”(No.41403057);The Guizhou Province Science and Technology Fund “Simulation of infrared detection of water occurrence state on lunar surface”(No

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水在地球科学各个领域以及行星演化和太空探索中都是非常重要的物质。我国嫦娥-3号的近红外光谱数据在1.4 μm附近出现了微弱的峰,可能代表了水的存在。为了定量计算其水含量,以磷灰石为研究对象,通过对磷灰石结构水在1.4 μm和2.8 μm红外光谱相关性的分析和验证,获得了其在1.4 μm红外光谱的摩尔吸收系数。磷灰石在1.4 μm和2.8 μm处的吸收峰与其晶体定向有关,当光矢量E平行于磷灰石晶体c轴时,根据Beer-Lambert定律,可用公式C=ωA/ερd定量计算磷灰石中水的含量。这一结果可为解译嫦娥-3号近红外光谱数据中水的信号提供借鉴。该方法能为月球其他矿物在近红外光谱中结构水的定量计算提供依据。

关键词: 磷灰石, 近红外光谱, 结构水, 摩尔吸收系数

Water plays an important role in nearly every aspect of geological processes as well as in the evolution of planetary bodies. Chang E-3 NIR spectra appeared weak peak of OH in the vicinity of signal 1.4 μm, it may represent the presence of water. In order to quantitatively calculate the water content, apatite as the research object in the paper. Through analyzing and validating the infrared spectrum correlation between 1.4 μm and 2.8 μm of the structure water in the apatite, we obtained its molar absorption coefficient in the infrared spectrum of 1.4 μm. IR spectra were collected on oriented. When the light vector E is parallel to the c-axis of the apatite crystal, H₂O concentration in apatite can be related to measured IR absorbance as follows: C=ωA/ερd, which based on Beer-Lambert’s law. This result can provide reference for the interpretation of Chang E-3 near-infrared spectral data of water signal. This method can provide the basis for the quantitative calculation of structure water in the near infrared spectrum in other moon minerals.

Key words: Apatite, NIR, OH, Molar absorption coefficient.

中图分类号:

P578

表1 样品特征

Table 1 Apatite samples and description

样品号	特征
1	直径约11 mm,长18 mm,显微镜下可见黑色包体
2	直径约14 mm,长21 mm,显微镜下可见沿C轴小的断裂
3	直径约15 mm,长17 mm,同样可见沿C轴的小断裂
4	直径约14 mm,长15 mm,表面肉眼可见黄褐色包体,切片时可以去掉,显微镜下可见细小断裂
5	直径约13 mm,长22 mm,内部有裂纹和断裂
6	直径约9 mm,长14 mm,和样品3类似

表1 样品特征

Table 1 Apatite samples and description

样品号	特征
1	直径约11 mm,长18 mm,显微镜下可见黑色包体
2	直径约14 mm,长21 mm,显微镜下可见沿C轴小的断裂
3	直径约15 mm,长17 mm,同样可见沿C轴的小断裂
4	直径约14 mm,长15 mm,表面肉眼可见黄褐色包体,切片时可以去掉,显微镜下可见细小断裂
5	直径约13 mm,长22 mm,内部有裂纹和断裂
6	直径约9 mm,长14 mm,和样品3类似

表2 磷灰石近红外光谱数据

Table 2 Infrared spectrum properties of apatite

样品号	积分面积			半峰宽			峰高波数		强度		厚度/cm
样品号	2.8 μm		1.4 μm			2.8 μm			1.4 μm	2.8 μm		1.4 μm	2.8 μm	1.4 μm
1	76.378	0.129		69.298	25.320		3 554.9	7 246.4	0.8377	0.0048	0.037
2	35.626	0.070		59.310	26.870		3 557.5	7246.4	0.4191	0.0023	0.024
3	66.682	0.134		52.046	29.595		3 557.5	7 246.4	0.8326	0.0046	0.052
4	76.614	0.144		60.193	27.265		3 558.7	7 246.4	0.8640	0.0049	0.048
5	48.585	0.082		57.930	26.000		3 558.7	7 246.4	0.5618	0.0030	0.042
6	45.603	0.086		53.602	25.275		3 560.0	7 246.4	0.5834	0.0032	0.046

表2 磷灰石近红外光谱数据

Table 2 Infrared spectrum properties of apatite

样品号	积分面积			半峰宽			峰高波数		强度		厚度/cm
样品号	2.8 μm		1.4 μm			2.8 μm			1.4 μm	2.8 μm		1.4 μm	2.8 μm	1.4 μm
1	76.378	0.129		69.298	25.320		3 554.9	7 246.4	0.8377	0.0048	0.037
2	35.626	0.070		59.310	26.870		3 557.5	7246.4	0.4191	0.0023	0.024
3	66.682	0.134		52.046	29.595		3 557.5	7 246.4	0.8326	0.0046	0.052
4	76.614	0.144		60.193	27.265		3 558.7	7 246.4	0.8640	0.0049	0.048
5	48.585	0.082		57.930	26.000		3 558.7	7 246.4	0.5618	0.0030	0.042
6	45.603	0.086		53.602	25.275		3 560.0	7 246.4	0.5834	0.0032	0.046

图1 磷灰石2.8 μm红外光谱图

Fig.1 Infrared spectra of apatite in 2.8 μm

图2 磷灰石1.4 μm红外光谱图

Fig.2 Infrared spectra of apatite in 1.4 μm

图3 磷灰石1.4~2.8μm相关性

Fig.3 Correlation between 1.4 μm and 2.8 μm in apatite

表3 1.4 μm A _int和 A _lin摩尔吸收系数计算结果

Table 3 Calculation results of ε _1.4with A _int and A _lin

样品号	面积相关ε/ L/(mol·cm²)	强度相关ε L/(mol·cm)
1	39.01513±1.01338	2.692992±0.063027
2	45.38820±1.17891	2.579398±0.060369
3	46.24698±1.20122	2.568429±0.060112
4	43.26683±1.12381	2.638371±0.061749
5	38.98758±1.01266	2.50979±0.05874
6	43.30971±1.12493	2.537623±0.059391

表3 1.4 μm A _int和 A _lin摩尔吸收系数计算结果

Table 3 Calculation results of ε _1.4with A _int and A _lin

样品号	面积相关ε/ L/(mol·cm²)	强度相关ε L/(mol·cm)
1	39.01513±1.01338	2.692992±0.063027
2	45.38820±1.17891	2.579398±0.060369
3	46.24698±1.20122	2.568429±0.060112
4	43.26683±1.12381	2.638371±0.061749
5	38.98758±1.01266	2.50979±0.05874
6	43.30971±1.12493	2.537623±0.059391

表4 磷灰石样品含水量(wt%)

Table 4 Water content of apatite (wt%)

样品号	面积相关			强度相关
样品号	2.8 μm		1.4 μm		2.8 μm	1.4 μm
1	0.050	0.046		0.027	0.028
2	0.036	0.038		0.021	0.021
3	0.031	0.034		0.019	0.019
4	0.039	0.039		0.022	0.022
5	0.028	0.026		0.016	0.016
6	0.024	0.025		0.015	0.015
a	0.036	0.037		0.021	0.021
b	0.044	0.048		0.024	0.024

表4 磷灰石样品含水量(wt%)

Table 4 Water content of apatite (wt%)

样品号	面积相关			强度相关
样品号	2.8 μm		1.4 μm		2.8 μm	1.4 μm
1	0.050	0.046		0.027	0.028
2	0.036	0.038		0.021	0.021
3	0.031	0.034		0.019	0.019
4	0.039	0.039		0.022	0.022
5	0.028	0.026		0.016	0.016
6	0.024	0.025		0.015	0.015
a	0.036	0.037		0.021	0.021
b	0.044	0.048		0.024	0.024

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