光谱学与光谱分析
光譜學與光譜分析
광보학여광보분석
SPECTROSCOPY AND SPECTRAL ANALYSIS
2014年
6期
1560-1565
,共6页
张保勇%刘传海%吴强%高霞
張保勇%劉傳海%吳彊%高霞
장보용%류전해%오강%고하
瓦斯水合物%拉曼光谱%晶体结构%孔穴占有率%水合指数
瓦斯水閤物%拉曼光譜%晶體結構%孔穴佔有率%水閤指數
와사수합물%랍만광보%정체결구%공혈점유솔%수합지수
Gas hydrate%Raman spectra%Crystal structure%Cavity occupancy%Hydration index
抽采瓦斯气分离产物特性精确获取是水合分离新技术应用关键。针对两种浓度构成的瓦斯混合气(CO2-CH4-N2),利用瓦斯水合分离产物 Raman 测试装置,原位合成两种水合物样品并观测 Raman 光谱。基于客体分子振动模式、“松笼-紧笼”模型及Raman谱带面积比,结合van der Waals-Platteeuw模型,确定出水合物晶体结构,计算出晶体孔穴占有率、水合指数等结构参数。结果表明,两种瓦斯水合物样品均为Ⅰ型结构,其大孔穴占有率分别为98.57%和98.52%,小孔穴占有率分别为29.93%和33.87%,小孔穴不易被客体分子填充;两种分离产物水合指数比较接近,分别为7.14和6.98,均大于Ⅰ型水合物水合指数理论值。
抽採瓦斯氣分離產物特性精確穫取是水閤分離新技術應用關鍵。針對兩種濃度構成的瓦斯混閤氣(CO2-CH4-N2),利用瓦斯水閤分離產物 Raman 測試裝置,原位閤成兩種水閤物樣品併觀測 Raman 光譜。基于客體分子振動模式、“鬆籠-緊籠”模型及Raman譜帶麵積比,結閤van der Waals-Platteeuw模型,確定齣水閤物晶體結構,計算齣晶體孔穴佔有率、水閤指數等結構參數。結果錶明,兩種瓦斯水閤物樣品均為Ⅰ型結構,其大孔穴佔有率分彆為98.57%和98.52%,小孔穴佔有率分彆為29.93%和33.87%,小孔穴不易被客體分子填充;兩種分離產物水閤指數比較接近,分彆為7.14和6.98,均大于Ⅰ型水閤物水閤指數理論值。
추채와사기분리산물특성정학획취시수합분리신기술응용관건。침대량충농도구성적와사혼합기(CO2-CH4-N2),이용와사수합분리산물 Raman 측시장치,원위합성량충수합물양품병관측 Raman 광보。기우객체분자진동모식、“송롱-긴롱”모형급Raman보대면적비,결합van der Waals-Platteeuw모형,학정출수합물정체결구,계산출정체공혈점유솔、수합지수등결구삼수。결과표명,량충와사수합물양품균위Ⅰ형결구,기대공혈점유솔분별위98.57%화98.52%,소공혈점유솔분별위29.93%화33.87%,소공혈불역피객체분자전충;량충분리산물수합지수비교접근,분별위7.14화6.98,균대우Ⅰ형수합물수합지수이론치。
Accurate determination of coal mine gas separation product characteristics is the key for gas separation application based on hydrate technology.Gas hydrate was synthesized from two types of gas compositions (CO2-CH4-N2 ).The separa-tion products were measured by in situ Raman spectroscopy.The crystal structure of mixed-gas hydrate was determined,and the cavity occupancy and hydration index were calculated,based on the object molecular various vibrational mode,“loose cage-tight cage”model and the Raman bands area ratio,combined with the model of van der Waals-Platteeuw.The results show that the mixed-gas hydrates are both structureⅠ for the two gas samples;Large cages of mixed-gas hydrate are nearly occupied by guest molecules,and the large cavity occupancies are 98. 57% and 98. 52%,respectively;but small cages are not easy to be occupied, and the small cavity occupancies are 29. 93% and 33. 87%,respectively;hydration index of the two gas samples hydrate is 7. 14 and 6. 98,respectively,which is greater than the theoretical value of structure Ⅰ.