A Study on the Surface Structures of Viscose-based Activated Carbon Fiber by FT-IR Spectroscopy and XPS

Using viscose fiber (VF) as starting material and common steam as activating agent, formation of oxygen structures in activated carbon fiber is investigated. In the preparation of samples, VF was first heated at temperatures between 450℃ and 900℃ in N_2 artmosphere. Then, in a successive activation stage, the product carbonized at 600℃ was activated in steam at 450-900℃ for 30 min, and at 600℃ for 5-30 min. The other carbonization products were activated at 600 and 900℃ for 30 min respectively. The products activated at 900℃ were then activated at 450℃ for 30 min again. The starting materiah carbonized products and all activation products were examined by FT-IR spectroscopy and some products were examined by X-ray photoelectron spectroscope (XPS). And the yields of the carbonized and activated products were calculated. By analysing these spectra, the amount of oxygen-containing functional groups of the activated products attained under various activation time, various activation temperature and various previous carbonization temperature was determined.

FT-IR Spectroscopic Investigation of Co-adsorption of Acetonitrile and CO on Fresh Mo_2C/Al_2O_3 Catalyst

The adsorption of acetonitrile and its co-adsorption with CO on fresh Mo_2C/Al_2O_3 catalyst have been studied by insitu FT-IR spectroscopy.Linearly adsorbed CH_3CN and CH_3CH_2NH_2 were formed after CH_3CN adsorption on the Mo_2C/ Al_2O_3 catalyst.The appearance of a strong band at 1578 cm^(-1) indicates that CH_3CN was reactive with hydrogen on the Mo_2C/Al_2O_3 catalyst.

In situ FT-IR spectroscopy investigations of carbon nanotubes supported Co-Mo catalysts for selective hydrodesulfurization of FCC gasoline

To better understand the nature of carbon nanotubes supported Co-Mo catalysts （Co-Mo/CNTs） for selective hydrodesulfurization （HDS） of fluid catalytic cracking （FCC） gasoline, studies are carried out using in situ Fourier transform infrared spectroscopy （FT-IR）. The catalytic performances of Co-Mo/CNTs catalysts were evaluated with a mixture of cyclohexane, diisobutylene, cyclohexene, 1-octene （60 ： 30 ： 5 ： 5, volume ratio） and thiophene （0.5%, ratio of total weight） as model compounds to simulate FCC gasoline. The HDS experimental results suggested that the HDS activity and selectivity of Co-Mo/CNTs catalysts were affected by Co/Mo ratio; the optimal Co/Mo atomic ratio is about 0.4, and the optimum reaction temperature is 260 ℃. The in situ FT-IR studies revealed that 1-octene can be completely saturated at 200 ℃. In the FT-IR spectra of diisobutylene, the characteristic absorption peak around 3081 cm^-1 for the stretching vibration peak of =C-H bond was still clear at 320 ℃ indicating that diisobutylene is difficult to be hydrogenated. As for the thiophene, no characteristic absorption peak could be found around 3092 cm^-1 and 835 cm^-1 when the reaction temperature was raised to 280 ℃, indicating that thiophene had been completely hydrodesulfurized. On the basis of FT-IR results, it can be deduced that thiophene HDS reaction occurred mainly through direct hydrogenolysis route, whereas thiophene HDS and diisobutylene hydrogenation reaction over Co-Mo/CNTs catalysts might occur on two different kinds of active sites.

FT-IR spectroscopic analysis of normal and cancerous tissues of esophagus

AIM: To investigate the special Fourier transform infraredspectroscopy (FT-IR) spectra in normal and cancerous tissuesof esophagus.METHODS: Twenty-seven pairs of normal and canceroustissues of esophagus were studied by using FT-IR and thespecial spectra characteristics were analyzed in differenttissues.RESULTS: Different spectra were found in normal andcancerous tissues. The peak at 1 550/cm was weak andwide in cancerous tissues but strong and high in normaltissues.The ratio of I1 647/I1 550 was 2.0 in normal tissuesand 2.36 in cancerous tissues (P＜0.05). The ratio of Ⅰ1 550/I 1 080 was 4.5 in normal tissues and 3.4 in canceroustissues (P＜0.01). The peak at 1453/cm was higher than at1 402/cm in normal tissue and lower than at 1 402/cm incancerous tissues.CONCLUSION: The results indicate that F-FIR may be used in clinical diagnosis.

Probing into Surface Sites of Fresh Mo_2N/Al_2O_3,Mo_2C/Al_2O_3 and MoP/Al_2O_3 Catalysts by CO Adsorption and In Situ FT-IR Spectroscopy

The surface nature of fresh Mo2N/Al2O3, Mo2C/Al2O3 and/MoP/Al2O3 catalysts, which were synthesized directly in the IR cell to avoid passivation, were characterized by in situ IR spectroscopy with CO as a probe molecule. CO adsorbed on fresh catalysts showed characteristic IR bands at 2045 cm-1 for Mo2N/Al2O3 catalyst, 2054 cm-1 for MozC/Al2O3 catalyst and 2037 cm-1 for MoP/Al2O3 catalyst, respectively. A strong band at 2200 cm-1 for Mo2N/Al2O3 catalyst, which could be ascribed to NCO species formed when CO reacted upon surface active nitrogen atoms, and a weak band at 2196 cm-1 for Mo2C/Al2O3 catalyst, which could be attributed to CCO species, were also detected. CO adsorbed on fresh Mo2N/Al2O3 catalyst, Mo2C/Al2O3 catalyst and MoP/Al2O3 catalyst, showed strong molecular adsorption, just like noble metals. Our experimental results are bolstered by direct IR evidence demonstrating the similarity in surface electronic property between the fresh Mo2N/Al2O3, Mo2C/Al2O3 and MoP/Al2O3 catalysts and noble metals.

Investigation of Spontaneous Condensation of an Amino Acid Based Amphiphile on Cast Film by in situ Transmission FT-IR Spectroscopy

The spontaneous condensation of the amphiphilic N-（O,O-dihexadecyl）phosphorylalanine on the cast film was observed by in situ investigation of transmission infrared spectroscopy The particular orientation and ordered packing of the monomers within the multilayers of the cast film is concluded to attribute to the spontaneous condensation between the monomers.

Structural Characterization of Lignins Isolated from Caragana sinica Using FT-IR and NMR Spectroscopy

In order to efficiently explore and use woody biomass,six lignin fractions were isolated from dewaxed Caragana sinica via successive extraction with organic solvents and alkaline solutions.The lignin structures were characterized by Fourier transform infrared spectroscopy(FT-IR) and 1D and 2D Nuclear Magnetic Resonance(NMR).FT-IR spectra revealed that the "core" of the lignin structure did not significantly change during the treatment under the conditions given.The results of 1H and 13C NMR demonstrated that the lignin fraction L2,isolated with 70% ethanol containing 1% NaOH,was mainly composed of β-O-4 ether bonds together with G and S units and trace p-hydroxyphenyl unit.Based on the 2D HSQC NMR spectrum,the ethanol organosolv lignin fraction L1,extracted with 70% ethanol,presents a predominance of β-O-4′ aryl ether linkages(61% of total side chains),and a low abundance of condensed carbon-carbon linked structures(such as ββ′,β-1′,and β-5′) and a lower S/G ratio.Furthermore,a small percentage(ca.9%) of the linkage side chain was found to be acylated at the γ-carbon.

FT-IR Microspectroscopic Imaging of Cross-Sectioned Human Hair during a Bleaching Process

We investigated bleached human hair by FT-IR microspectroscopy and chemical imaging. The cross sectioned hair is approximately 90 μm in diameter, showed cuticle and cortex in chemical imaging. Differential amide I/II absorbance ratio and broadening amide I band between in the cortex and cuticle were confirmed in FT-IR microspectroscopy and chemical imaging. The cystine monoxide band from the products of disulfide oxidation of the amino acid cystine is associated with hair damaging during bleaching process. With increase bleaching time, the band for cystine monoxide shows more intense and larger area in chemical image. The spatially chemical change was investigated in detail by FT-IR microspectroscopy and chemical imaging during the bleached process.

Crystallization and micro FT-IR spectroscopy investigation of cytochrome bc_1 complex

A simple method to obtain large red crystals of cytochrome bc1 complex from beef heart mitochondria has been developed. These crystals are very stable. Their shapes are retained for a long time in tip-sealed Pasteur pipets placed in a refrigerator. The structure of crystalline cytochrome bc1 complex by micro FT-IR spectroscopy has been investigated. Based on the IR spectra of cytochrome c, the empirical assignments of the major infrared frequencies of cytochrome bc1 complex are given. Infrared frequencies and relative intensities of variable orientation and section of crystal are significantly different. These imply that infrared spectral characterization of the membrane protein crystallization is associated with the variable symmetries and orientations of the structure. Experimental results show that phospholipid exists in the crystal of cytochrome bc1 complex. The membrane protein is probably spanned on the mitochondrial membrane and buried in phospholipid bilayer in an asymmetric manner.

Spectroscopy and molecule opacity investigation on excited states of SiS

The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is limited.To obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been utilized.This method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of SiS.The core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI calculation.Based on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental results.The transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI method.In addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic configuration.The opacity of SiS at a pressure of 100 atms is presented across a series of temperatures.With increasing temperature,the expanding population of excited states blurs the band boundaries.

X-ray Spectroscopically Probing Mo_(2)C@MoSe_(2)Heterojunction Electrodes

Due to their high electrical conductivity and layered structure,two dimensional MXene materials are re⁃garded as promising candidates for energy storage applications.However,the relatively low stability and specific ca⁃pacity of MXene materials limit their further utilization.In this study,these issues are addressed using a heterostruc⁃ture strategy via a one-step selenization method to form Mo_(2)C@MoSe_(2).Synchrotron radiation X-ray spectroscopic and high-resolution transmission electron microscopy(HRTEM)characterizations revealed the heterostructure consisting of in-situ grown MoSe_(2)on Mo_(2)C MXene.Electrochemical tests proved the heterojunction electrode’s superior rate perfor⁃mance of 289.06 mAh·g^(-1)at a high current density of 5 A·g^(-1)and long cycling stability of 550 mAh·g^(-1)after 900 cycles at 1 A·g^(-1).This work highlights the useful X-ray spectroscopic analysis to directly elucidate the heterojunction structure,providing an effective reference method for probing heterostructures.

^(13)C NMR、FT-IR、Raman和建模技术对烟煤和无烟煤分子结构的应用研究

【目的】探究高精度煤的结构演化及其机理的定量表征。【方法】通过显微组分鉴定、镜质体反射率、工业品质、元素分析和光谱分析,确定了烟煤(FS1)和无烟煤(ZY1)碳骨架结构、官能团的赋存状态等信息,并通过计算机辅助分子设计建立2个分子结构模型。【结果】结果表明,随着煤化作用的进行,烟煤到无烟煤过程中,亚甲基的损失速率比甲基的损失速率快,芳香性增强,芳香环的脂肪族链变短且支化度较高,含氧官能团逐渐减少,煤结晶程度增强,煤的化学结构趋于成熟稳定,且煤中的脂肪碳减少,芳香碳增加,甲基碳和亚甲基碳含量减少。经过多次尝试确定了芳香炭、脂肪族侧链和氧官能团之间的键合模式,获得最终的分子结构模型:C_(175)H_(162)O_(13)N_(2)(FS1)、C_(190)H_(159)O_(5)N_(3)(ZY1).该模型较好地反映煤的真实结构,模拟的^(13)C NMR光谱与实验光谱具有良好的一致性。上述研究为不同变质程度煤的分子结构演化提供了理论参考,为建立高可信度的分子结构表征提供了方法。

定窑遗址出土制瓷原料的科学分析

首次通过窑址发掘出土的制瓷原料,复原了定窑不同时代的胎釉配方。对2009年定窑作坊遗址考古发掘所出五代至宋金时期二十余种制瓷原料开展了ED-XRF成分分析和XRD结构分析等光谱学分析。ED-XRF成分分析显示,这些原料可能包括单一原料和混合原料两种。其中单一原料包括岩石、粘土以及草木灰。混合原料则包括胎料和釉料两种。XRD结构分析表明用于定窑白瓷生产高岭土类原料是含有蒙脱石和方解石的伴生石英的长石类矿物原料。高铁粘土类原料由于铁含量特别高,应当是用于配黑釉的粘土。钙质原料的分析与康葆强等学者对定窑配釉用的灰料可能使用了40%的白灰和60%的松木灰配制的结论相同。同时,还发现了釉灰,即草木煅烧石灰石后形成的混合灰料。在分析定窑白瓷釉时,认为五代的白瓷釉可能使用了釉灰配制,因此定窑釉灰的使用可能推早到五代,这是目前发现使用釉灰配釉最早的实例。对制胎原料XRD晶相分析的结果表明,除了石英和高岭石占主要比重外,还含有长石、蒙脱石、方解石等岩石类矿物。从对单一原料的X射线衍射的分析结果看,石英是粘土以及岩石这类单一原料中都含有的一类矿物,因此可能石英并非必须要添加的胎体原料。石英和高岭石是粘土原料中的主要成分,因此制胎原料应该主要以岩石类原料和粘土作为主要配料。定窑细白瓷胎料可能使用了粘土类原料配合第一类岩石类原料的配方,其配比在金代时大约为1∶1左右,北宋时期可能约为7∶3(粘土∶岩石),五代时大概为6∶4左右。对制釉原料分析结果表明,定窑配釉原料是岩石类原料与釉灰配合形成的,五代、北宋时岩石和灰的比例约为9∶1,金代时石:灰达到了9.5∶0.5。这使得我们对定窑鼎盛时期的白瓷胎釉配方有了更加清晰的了解,从而为开展定窑的复烧提供了确凿的依据。

木材炭化机理的FT-IR光谱分析研究

结合炭化物的性质,采用傅立叶变换红外光谱,对木材炭化过程中碳网构造、表面官能团变化情况进行分析,揭示了其演变规律.结果表明:FT-IR光谱中1600cm-1附近芳环振动吸收强度的变化和波数的位移、3100～3200cm-1间v(Ar-H)及900～650 cm-1间v(Ar-H)的吸收强度的变化,与炭化过程中碳网构造的变化是相对应的.随炭化温度升高,炭化物聚合度升高,表面官能团也发生了明显变化.600～700℃间,炭化物中发生了大量-OH的脱水反应,碳网构造开始迅速发达.700℃之后,碳网的平面有序化并进一步生长.慢速升温有利于形成结构更规整的平面碳网,炭化物的表面官能团更少.

东胜长焰煤热解含氧官能团结构演化的^(13)C-NMR和FT-IR分析

以东胜煤田色拉一号井田2号煤层长焰煤为研究对象,利用浮沉离心法富集其镜质组。基于工业分析、元素分析、13C-NMR、FT-IR、谱图分峰拟合技术和化学分析测试,求取镜煤及一系列热解煤含氧官能团结构与含量参数,从不同角度研究了含氧官能团的分布规律与演化特点。镜煤中羧基、羰基含量分别为8.91~10.90 mol/kg、1.61~1.79 mol/kg,随热解温度升高羧基显著减少。热解作用促使以端基形式连接在脂肪链或脂肪环结构氧上的甲基和亚甲基首先脱去,且在温度高于350℃后基本稳定。氧在热解过程赋存状态的变化是芳香体系与脂肪体系相互竞争的结果,510℃热解煤中芳香类氧和脂肪类氧的含量分别为7.49、3.45 mol/kg。羟基的演化过程与热解过程中氧的赋存状态密切相关。随着热解过程的进行,在热解温度低于440℃时,各种羟基含量均减少,热解过程对于大分子网络的破坏干扰了各种氢键作用,而羟基π作用则暂时增强,至510℃时各种氢键含量均降为最低。东胜长焰煤中含氧官能团化学活性顺序为:[COOH]>[R-O]>[Ar-O-Ar,Ar-O-C,C-O-C]>[C=O]。镜煤非活性醚键含量为0.68 mol/kg,活性醚键为0.48 mol/kg,主要为非活性醚键。

FT-IR法研究聚氨酯的固化行为

用 FT- IR研究了 TDI- PPG- MOCA体系的固化动力学 ,得到了不同温度下固化反应速度、反应程度与固化时间的关系及反应的活化能。讨论了固化剂用量、温度对固化动力学参数、交联反应的影响。结果表明 ,固化剂的用量、温度对固化动力学参数、交联反应有较大影响 。

不同类型的CO_3^(2-)替换羟基磷灰石固溶体晶体化学FT-IR研究

利用FT-IR结合XRD对不同类型的CO32-替换磷灰石固溶体进行了晶体化学研究,结果表明:B型替换碳羟磷灰石(CHAP)的替换方式是犤CO3·OH犦四面体替换犤PO4犦四面体;A型替换CHAP的替换方式是犤CO3犦三角形配位体替换通道位置的OH-;AB混合型替换CHAP的FT-IR谱中非对称伸缩振动ν3分裂为ν3-1、ν3F、ν3-4,高斯函数法拟合表明ν3F峰是A型替换的ν3-2与B型替换的ν3-3的叠合。当WCO2-33.34%时,随CO32-含量增加,A型替换量增大,替换指数(SI)增大,且当WCO2-3=3.34%时,SI达最大值,当3.34%<WCO2-37.52%时,随CO32-含量增加,SI减小,B型替换量增大,且当WCO2-3=7.52%时总固溶量饱和。

纸浆ECF和TCF漂白过程中纤维形态变化和FT-IR分析

通过SEM观察发现,未漂竹浆抄成的纸张,暴露于表面的长纤维较少,纤维形状扁平,纤维之间空隙很少。经氧脱木素后,纸张表面细小纤维减少,纤维间空隙较多,而经二氧化氯漂白后,纸张表面保留了一部分形态扁平的纤维,纤维间空隙相对较少;未漂浆纤维较粗,纤维表面光滑,结构密实,而经氧脱木素后,纤维变细,纤维表面轻微帚化,结构较疏松。浆料经CEH漂白后纤维受到较大程度的破坏,而经OQP和DQP漂白后,纤维也受到一定程度的破坏,但相对较小,两者相比较,DQP漂白浆的纤维完整性保持较好。FT-IR分析表明,随着漂白的进行,木素结构中苯环的特征峰逐渐减弱以至消失,羰基等发色基团也逐步减少,纸浆白度提高。

竹材酚醇液化及其甲醛树脂的FT-IR分析

采用傅立叶红外光谱法分析了竹刨花在苯酚与聚乙二醇-400溶剂作用下酸催化液化产物的化学结构,以及液化物甲醛树脂的结构特征。分析表明:在液化过程中木质素、纤维素和半纤维素都发生了不同程度的降解,产生了很多的小分子物质;并且同时加入两种液化试剂,可以使竹刨花发生两种不同的液化反应。

基于TG/FT-IR,Py-GC/MS的聚乳酸塑料热降解研究

采用TG/FT-IR、Py-GC/MS联用技术研究了可降解塑料聚乳酸的气体释放过程及其热解产物。研究表明,聚乳酸在320～370℃区间发生剧烈热解反应,DTG曲线在359℃时出现最大值。热解气体的逸出情况由FT-IR进行实时检测,并且定性分析了CH4,CO2,CO和有机物等产物的析出情况。通过比较TG/DTG曲线和FT-IR数据,发现DTG和FT-IR分析结果较为一致。Py-GC/MS联用技术用来分析聚乳酸热解产物,结果表明醛、酮、酯及低聚物是主要降解产物。Py-GC/MS方法快速、简便、准确,不失为聚合物热解研究的良好方法。