Chemistry of hydrogen sulphide under coal liquefaction conditions: 1. Modelling hydrogen transfer catalysis

The work reported here represents initial attempts to develop a complete kinetic and mechanistic understanding of the reaction chemistry of H₂S under coal liquefaction conditions, using both model systems and coal. Hydrogen sulphide was found to promote/catalyse the transfer of hydrogen from tetralin to 2-hydroxyquinoline (2-HOQ). The presence of H₂S can increase the rate of hydrogen transfer from tetralin to 2-HOQ by a factor of 10 compared with the same reaction run in the absence of H₂S. The energy of activation for hydrogen transfer was found to decrease by ≈5 kcal mol⁻¹ in the presence of H₂S. The presence of H₂S was also found to promote loss of oxygen from 2-HOQ to form small amounts of quinoline. No evidence of CC or CN bond cleavage in 2-HOQ was noted under any of the reaction conditions studied. These results suggest that the presence of H₂S reduces the temperatures necessary to promote effective hydrogen transfer from tetralin by 50–75 °C. Moreover, they imply that similar effects occur in H₂S-promoted coal liquefaction.     

气化炉复合炉衬的传热计算

新型 (多喷嘴对置 )水煤浆气化炉拟采用水冷管和耐火浇铸料组成的复合炉衬结构 .炉内的高温高压对复合炉衬的高温侵蚀十分严重 ,是影响其寿命的重要因素 ,因此合理设计气化炉复合炉衬的结构对充分发挥其材质的作用具有十分重要的意义 .建立了气化炉复合炉衬的传热计算的数学模型 ,同时编制了模型求解的计算程序 ,并用某工艺条件对复合炉衬的温度分布进行了计算 .结果表明 ,该方法可有效计算出复合炉衬的温度分布情况 ,为复合炉衬的设计、运行和维护提供理论依据     

相转移催化法合成多聚乙二醇二环氧甘油醚

以多聚乙二醇和环氧氯丙烷为原料合成了多聚乙二醇二环氧甘油醚。NaOH为催化剂,季铵盐为相转移催化剂。结论为:作为催化剂NaOH固体效果优于NaOH溶液;四正丁基硫酸氢铵(TBAS)催化醚化反应效果最佳,GC监测表明,二醚的选择性达98％以上;n(多聚乙二醇):n(环氧氯丙烷):n(NaOH):n(TBAS)= 1:10:7:0．08;反应温度55-60℃;反应时间1．5 h;产率83％。     

Brain mass estimation by head circumference and body mass methods in neonatal glycaemic modelling and control

Introduction

Hyperglycaemia is a common complication of stress and prematurity in extremely low-birth-weight infants. Model-based insulin therapy protocols have the ability to safely improve glycaemic control for this group. Estimating non-insulin-mediated brain glucose uptake by the central nervous system in these models is typically done using population-based body weight models, which may not be ideal.

Method

A head circumference-based model that separately treats small-for-gestational-age (SGA) and appropriate-for-gestational-age (AGA) infants is compared to a body weight model in a retrospective analysis of 48 patients with a median birth weight of 750 g and median gestational age of 25 weeks. Estimated brain mass, model-based insulin sensitivity (S_I) profiles, and projected glycaemic control outcomes are investigated. SGA infants (5) are also analyzed as a separate cohort.

Results

Across the entire cohort, estimated brain mass deviated by a median 10% between models, with a per-patient median difference in S_I of 3.5%. For the SGA group, brain mass deviation was 42%, and per-patient S_I deviation 13.7%. In virtual trials, 87–93% of recommended insulin rates were equal or slightly reduced (Δ < 0.16 mU/h) under the head circumference method, while glycaemic control outcomes showed little change.

Conclusion

The results suggest that body weight methods are not as accurate as head circumference methods. Head circumference-based estimates may offer improved modelling accuracy and a small reduction in insulin administration, particularly for SGA infants.     

THE ROLE OF INTERFACIAL PHENOMENA IN A LIQUID-LIQUID REACTION SYSTEM: EXTRACTION OF PROPANOIC ACID BY TRIOCTYLAMINE

The kinetics of extraction of propanoic acid from water to isobulanol by reaction with trioctylamine have been investigated. Mass transfer was modelled by extending the approach used in absorption with chemical reaction, as it is usually done for liquid-liquid reactions. The presence of the amine, however, gave rise to phenomena that cause this method to fail, producing inconsistent results. In order to explain these data, the presence of relevant interfacial phenomena must be supposed.     

β-甘露聚糖酶理化性质与其最适pH的相关性

为了探究影响GH5家族β-甘露聚糖酶最适pH的各种因素,利用该酶的序列信息,构建了基于氨基酸组成的β-甘露聚糖酶理化性质与其最适pH的相关性模型。结果表明:该酶N端氨基酸序列是影响其最适pH的重要因素,在243个理化性质中有17个呈极显著相关,其中7个呈正相关。优化的转移能量参数相关性最高,为0.78:7个正相关的理化性质中,与螺旋相关的理化性质占3个。优化的转移能量参数和螺旋是影响pH稳定性的最重要的因素。所建立的模型为研究该酶酸碱适应性机理提供了一种简单有效的方法。     

模拟三相流化床中颗粒尺寸对单气泡传质系数的影响

本文在模拟三相流化床中,测量了单气泡的传质系数,实验结果表明颗粒直径对气-液传质系数影响显著。颗粒直径较大时,传质系数有明显提高。     

基于EIGamal签名的隐私保护网上交易方案

针对网上交易时的用户个人隐私安全问题,依据不经意传输理论,基于ElGamal签名的不经意签名电子信封(OSBE)模型,提出了一个可保护用户隐私的网上交易数字商品方案.首先用户匿名付费给银行,然后银行将用户订购商品的数字签名发送给用户,接着用户使用数字签名与商家进行不经意信息交互,最后用户得到且只能得到自己订购的数字商品,商家并不知道用户订购何种数字商品.正确性证明和安全性分析结果表明,可以有效地保护用户在网上交易过程中的个人隐私,同时防止商家恶意欺诈行为.该方案签名相对较短,计算量较小,密钥动态变化,安全性更强.     

WALL AND PARTICLE-SHAPE EFFECTS ON HEAT TRANSFER IN PACKED BEDS

The effective radial thermal conductivity and apparent heat transfer coefficient for a packed bed were experimentally determined for beds of spheres, full cylinders and hollow cylinders, for flow rates giving particle Reynolds numbers in the range 100-1000, and for tube to particle diameter ratios of 5-12. Over these ranges the radial Peclet number Pe_r showed significant dependence on solid conductivity, gas flow rate and particle shape, while the wall Biot number Bi showed significant dependence on tube to particle diameter ratio, gas flow rate and particle shape. These dependencies were predicted well by equations incorporating the effects of these variables into individual gas and solid phase parameters, which were then combined to give the effective or lumped parameters