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天然气与硫酸盐热化学还原反应的模拟实验研究 总被引:4,自引:1,他引:4
为探讨天然气中高含量硫化氢形成的化学机制,利用高温高压反应装置,对天然气与固态硫酸钙反应体系进行了热模拟实验研究。使用气相色谱仪、微库仑仪、傅里叶变换红外光谱仪和X射线衍射仪对产物进行了分析,探讨了硫酸盐热化学还原反应的热力学特征,并进行了反应动力学研究。结果表明,高温下天然气与固态硫酸钙可以发生反应,产物主要为硫化氢、二氧化碳、碳酸钙、水和炭。热力学研究表明,天然气与固态硫酸钙的反应可行,升高温度对反应有利,同一温度下长链烷烃与固态硫酸钙发生反应的可能性要比短链烷烃大。根据动力学模型得到反应活化能为96.824kJ/mol。 相似文献
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化学振荡与生化、生理现象关系密切,有维生素C参与的化学振荡反应也很引人注目.赵学庄等对维生素C存在的B-Z反应的振荡行为与机理进行了研究.他们的实验表明,当加入维生素C时,B-Z反应的诱导期增长,振荡周期增大,振荡寿命缩短,与向反应体系加入等量的Br-所产生的影响是一致的,并由此推断,维生素C对B-Z反应的影响可能是由维生素C与BrO反应生成Br-抑制了此反应的化学振荡,据此,凡是能与BrO反应生成Br-的物质,其对B-Z反应的影响必将类似于维生素C,硫酸羟胺与水合肼就属于此类物质.本文初步研究了它们对B-Z反应的影… 相似文献
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镍基催化剂上硫醇与异戊二烯硫醚化反应的研究 总被引:1,自引:0,他引:1
在上流式气-液-固三相固定床微型反应装置上,对Ni/Al2O3催化剂上硫醇与异戊二烯硫醚化反应进行了研究,并考察了反应温度、压力、空速、临氢条件对催化剂二烯硫醚化反应性能的影响。结果表明,异戊二烯与硫醇在镍基催化剂的作用下,可以发生反应生成高沸点的硫醚化合物,反应温度和空速对催化剂二烯硫醚化活性有明显的影响,提高反应温度和降低空速有利于提高硫醇在二烯硫醚化反应过程中的转化率,在临氢反应条下,可以提高催化剂二烯硫醚化反应的活性和稳定性。 相似文献
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二氧化硫与戊烷的气相光化学反应研究 总被引:3,自引:0,他引:3
Baclock等^[1]的研究表明,在SO2与烃的光化学反应体系中,单重态SO2通过系间窜跃转化为三重态SO2参与光化学反应,Penzhorn等^[2,3]的研究表明,在SO2与C4以下气相烃的光化学反应中有多种产物存在,产物的复杂性预示反应为自由基链反应。Smith等^[4]等认为体系中存在烃的逐步氧化,同时证明SO2与烷烃光化学反应中自由基链反应的重要性,文献报道的研究多以凝聚态产物为切入点^[5],为避免器壁对光化学反应的影响,本文以气相物质为研究对象,对挥发性烷烃中结构最简单的戊烷与二氧化硫的光化学反应的气相反应产物,反应机理和影响因素等进行了研究。 相似文献
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Thermokinetic research methods for irreversible and reversible reactions in the adiabatic calorimeter are proposed. Four reaction systems, including an endothermic reaction, have been studied with an adiabatic calorimeter and the validity of these methods is verified. 相似文献
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Chuanzhi Sun Kui Wang Haitao Sun Nan Sun Dezhan Chen 《International journal of quantum chemistry》2014,114(12):769-781
The mechanism for initially divergent radical reactions reconverging to form a single product is studied using density functional theory calculations. The calculation results suggest that there are six possible pathways from reactants to products. The free energy barriers of the rate‐determining steps of each pathway are almost equal. Thus, different from usual reaction, the selectivity of this reaction is determined by the relative value of free energy barriers of the two competitive reactions, that is, cyclization and bimolecular trapping, rather than that of rate‐determining steps. In all reaction pathways, cyclization reaction is more competitive than bimolecular trapping reaction due to its low free energy barrier. In addition, the free energy barriers of bimolecular trapping reaction between Bu3SnH and reactants are all lower than that of NC? C6H11. However, Bu3SnH is not always suitable due to its large steric repulsion. © 2014 Wiley Periodicals, Inc. 相似文献
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Uko Maran Alan R. Katritzky Mati Karelson 《International journal of quantum chemistry》1998,67(6):359-366
The potential energy surface for the reaction of furan and methyleneimminium cation with formation of a Mannich base has been studied using AM1 and PM3 semiempirical calculations. Nonspecific solvent effects were taken account of in the framework of the multicavity self-consistent reaction field approach. Characteristics of the reaction path elucidated for various media are discussed. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 67: 359–366, 1998 相似文献
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Mohit L. Deb 《Tetrahedron letters》2007,48(12):2159-2163
Synthesis of some novel 3-alkylated indoles via an uncatalyzed Michael addition of indoles using three components in one-pot solvent-free conditions is reported. The mechanism was established by performing the reaction in two steps. The reaction was also studied in different solvents and an important solvent effect was noticed. 相似文献
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Song Ye 《International journal of quantum chemistry》2001,82(2):60-64
The reaction Sc+(1D)+H2S→Sc+S+H2 is theoretically investigated by ab initio MO methods. Two possible reaction channels on the singlet potential surface (PES) and the reaction mechanism are examined and discussed. Three regions of the potential surface were studied, the molecular complex, the S‐H insertion products and the transition states for the reaction. In addition the singlet and triplet PESs of this reaction system are compared in an investigation the chemistry of excited electronic state. © 2001 John Wiley & Sons, Inc. Int J Quant Chem 82: 60–64, 2001 相似文献
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Dr. Sílvia Osuna Dr. Alpay Dermenci Prof. Scott J. Miller Prof. K. N. Houk 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(42):14245-14253
The stereoselective Rauhut–Currier (RC) reaction catalyzed by a cysteine derivative has been explored computationally with density functional theory (M06‐2X). Both methanethiol and a chiral cysteine derivative were studied as nucleophiles. The complete reaction pathway involves rate‐determining elimination of the thiol catalyst from the Michael addition product. The stereoselective Rauhut–Currier reaction, catalyzed by a cysteine derivative as a nucleophile, has also been studied in detail. This reaction was experimentally found to be extremely sensitive to the reaction conditions, such as the number of water equivalents and the effect of potassium counterion. The E1cB process for catalyst elimination has been explored computationally for the eight possible stereoisomers. The effect of explicit water solvation and the presence of counterion (either K+ or Na+) has been studied for the lowest energy enantiomer pair (1S, 2R, 3S)/(1R, 2S, 3R). 相似文献
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《Journal of heterocyclic chemistry》2017,54(1):714-719
The reaction of indoles with dialdehydes was studied for the first time. Mild reaction conditions using glacial acetic acid led to two novel kinds of reaction products: one designated as alkyl chain‐connected tetraindoles and the other one as bis(indolyl)‐substituted cycloalkane indoles. The suggested reaction pathways are discussed. The indole substituents of the cycloalkane indoles were either trans or cis orientated depending from the alkyl chain length. 相似文献