用Excel 2000求解双组分精馏过程的设计型与操作型问题

以精馏过程的设计型与操作型问题为例,介绍Excel 2000的求解过程。计算过程及结果表明,利用Excel 2000解决精馏过程的设计型与操作型问题,不需编程,运算过程简单,结果可靠,具有易学、高效、快速、实用等特点。     

烧结余热发电闪蒸系统热力参数的优化

简要介绍了闪蒸补汽式余热发电技术,采用动态优化方法优化余热锅炉主汽及闪蒸补汽的运行参数。根据建立的热力计算模型,得到主蒸汽压力随窄点温差、接近点温差、热端温差等设计变量的变化规律曲线。以马钢320 m2、400 000 t/h烧结机为例,烧结余热发电闪蒸系统主蒸汽压力应选在2.35 MPa,闪蒸压力应选在0.25 MPa为最佳,闪蒸补气式余热发电系统优化前后的年经济效益可增加36.222万元,比优化前CO2排量减少0.063 6万吨,节省标煤量270.4吨。     

化工原理课程设计教学体会

提出改善化工原理课程设计教学质量的4种措施:(1)精心选题,(2)用Excel或Matlab软件辅助工艺计算,(3)引入新的设计方法,(4)规范写作;并以化学工程与工艺专业吸收单元操作的课程设计为例进行介绍。     

用Excel迭代运算程序解决复杂配位平衡体系中的准确计算问题

采用Excel软件工作表格,通过程序设计引导迭代计算方向,解决了两个复杂配位平衡体系中离子浓度的精确计算问题,发展了简便的Excel计算方法,为复杂配位平衡体系中的精确计算提供了思路。     

工业Fe-Mn催化剂上基于详细反应机理的F-T合成动力学模型Ⅱ.不同校正方法的动力学模型分析

 通过平衡闪蒸模拟催化剂孔道液体组成、烯烃物理吸附和虚拟烯烃分压等方法,考察了化学反应以外的非本征因素对F-T合成动力学模型的校正. 平衡闪蒸模拟催化剂孔道中烯烃组成的校正计算结果表明,在烯烃浓度出现峰值前,溶解度效应对烯烃再吸附及参与二次反应起主导作用,而在烯烃浓度出现峰值后,烯烃的扩散和物理吸附等效应可能起主导作用. 分析烯烃添加的反应器模拟结果发现,考虑烯烃物理吸附作用的动力学模型校正方法不能够正确反映烯烃添加实验的定性规律,而虚拟烯烃分压校正方法能够正确反映烃分布规律并可定量预测烯烃添加对产物分布规律的影响,这对需要尾气循环的F-T合成工业操作具有重要意义.     

Excel在最小二乘法不确定度评定中的应用

对测量不确定度的评定,采用最小二乘法的计算非常复杂而繁琐,即使用计算器计算,也很费时且易出差错。但应用Excel软件,特别是充分发挥其函数功能,进行不确定度评定,不仅明显加快了计算速度,且大大减少了错误的发生,实践表明,用Excel计算所得结果与文献报道的结果一致。     

Excel在基础无机化学实验数据处理中的应用

介绍了一种处理基础无机化学实验数据的方法,即用Microsoft Office系列中的Excel软件自动完成数据的分析和图表的处理.以"化学反应速率"及"碘化铅溶度积常数的测定"的实验内容为例,通过实验测得的反应速率和c(I-) 标准曲线吸光度及PbI2饱和溶液的制备.用Excel进行数据分析、公式计算和图表处理,找出了线形拟合关系,确定了反应级数,计算出了速率方程、速率常数、活化能和溶度积常数,以完整详实地实验记录将处理的结果完整地展示出来.方法具有方便快捷、精确度高、操作简便等优点.减少人工处理数据带来的误差.是本科生学习处理专业实验数据的基本方法之一.     

融合现代信息技术的化学实验成绩评定体系

科学的成绩评定方法能够充分调动学生实验学习的积极性,从而提高实验教学质量。从新时代化学实验教学的需求出发,分析构建与现代信息技术深度融合的成绩评定体系的必要性,并制定了涵盖预习、操作、数据质量、计算、报告和文献于一体的模块化、等级制评定体系及详细指标。同时利用Excel和MATLAB软件实现了数据的自动评判与总分统计。     

用Excel进行溶剂萃取工艺计算

介绍了溶剂萃取工艺计算的Excel电子表格方法，无需手工绘图和编程就可方便地得到计算结果，这种方法可用于教学和工程计算。     

闪蒸-毛细管气相色谱-质谱法分析中草药的挥发性成分

本文采用闪蒸-毛细管气相色谱-质谱法对姜黄、茅苍术、小茴香、肉桂的主要挥发性组分进行了分析,其结果与常规分析相符,对中草药闪蒸分析的条件进行了探讨,实验结果证明,闪蒸分析法是研究中草药挥发性成分的一种简便、快速、有效的微量分析方法。     

二氧化碳和丙烯直接合成甲基丙烯酸的NiPMo/TiO2催化剂的研究

用溶胶-凝胶法以磷钼酸(MPA)的镍盐溶液水解钛酸四丁酯制备了NiPMo/TiO2催化剂.使用ICP、 XRD、 TG-DTA、 IR、 TPD-MS和微反应技术研究了催化剂的化学组成、热稳定性、化学吸附性质和催化反应性能.杂多钼酸盐与TiO2通过O2-在TiO2表面发生了键合.在623 K下,杂多阴离子仍保持原有的Keggin结构.CO2在Lewis酸位Ni(Ⅱ)和Lewis碱位Ni-O-Mo的桥氧协同作用下生成CO2卧式吸附态Ni(Ⅱ)←O-(CO)←(O--Ni).丙烯有多种吸附态在催化剂上吸附.在563 K、 1 MPa和空速1500 h-1的反应条件下,丙烯的摩尔转化率为3.2%,产物MAA选择性为95%.     

CoFe2O4自形成磁性液体场致结构化对磁化的影响

The Langevin paramagnetic theory can’t describe the relation between magnetization of ferrofluids and applied magnetic field. The structuralization of ferrofluids, which is considered the main influence factor of the magnetization, is regarded. The part of magnetization works is deposited when the structure is forming. This action influences the magnetization of ferrofluids directly or indirectly. On the base of the “compressing” model, the Langevin function that usually describes the magnetization of ferrofluid is modified, and a well-fitted curve is obtained. An equation of the relation between the equivalent volume fraction after being “compressed” and the intensity of magnetic field is discovered, which approximately describes the process of magnetization. The relation between the approximate initial susceptibility and the volume fraction can be obtained from modified formula.     

Highly regioselective Buchwald–Hartwig amination at C-2 of 2,4-dichloropyridine enabling a novel approach to 2,4-bisanilinopyridine (BAPyd) libraries

The highly regioselective Buchwald–Hartwig amination at C-2 of the cheap and readily accessible reagent, 2,4-dichloropyridine with a range of anilines and heterocyclic amines is described. This new methodology is robust and provides a facile access to 4-chloro-N-phenylpyridin-2-amines on 0.25 mol scale. These intermediates undergo a further Buchwald–Hartwig amination at higher temperature to enable rapid exploration of the chemical space at C-4 and to provide a library of 2,4-bisaminopyridines.     

Sulfur-directed metal-free and regiospecific methyl C(sp3)–H imidation of thioanisoles

Regiospecific and direct imidation of the methyl C(sp³)–H bond of thioanisoles is realized under mild and metal-free conditions with N-fluorobis(benzenesulfonyl)imide as an oxidant and nitrogen source. Proposed mechanism suggests that thionium ion intermediates and a Pummerer-type reaction are involved. The imidation has advantages such as high step-economy, excellent functionality tolerance, and regiospecificity, giving structurally diverse imidation products.     

Selective syntheses of 2H-1,3-oxazines and 1H-pyrrol-3(2H)-ones via temperature-dependent Rh(II)-carbenoid-mediated 2H-azirine-ring expansion

The Rh(II)-catalyzed reaction of 2-carbonyl-substituted 2H-azirines with ethyl 2-cyano-2-diazoacetate or 2-diazo-3,3,3-trifluoropropionate provides an easy access to 2H-1,3-oxazines and 1H-pyrrol-3(2H)-ones. These compounds can be selectively prepared from the same starting material using temperature as the only varied parameter. The 2-azabuta-1,3-diene intermediate, a common precursor for both heterocyclic products, isomerizes into 2H-1,3-oxazine under kinetic control, while 1H-pyrrol-3(2H)-one is the sole product of the reaction at elevated temperatures. According to DFT-calculations a one-atom oxazine ring contraction involving ring-opening to a 2-azabuta-1,3-diene intermediate, followed by a 1,5- and 1,2-prototropic shift leads to the consecutive formation of imidoylketene and azomethine ylide, which then further undergo cyclization to the pyrrole derivative.     

Copper catalyzed/mediated synthetic methodology for ebselen and related isoselenazolones

Scope of the copper catalyzed/mediated selenium-nitrogen coupling reaction has been studied for the synthesis of isoselenazolones. It is noticed that the 2-chloro, 2-bromo-, and 2-iodo-aryl amides substrates can be exploited in the selenium-nitrogen coupling reaction by employing 25-100 mol % of CuI/1,10-phenanthroline (L) and potassium carbonate as a base in DMF. Furthermore, electron rich 2-chloro-arylamides also underwent selenium-nitrogen coupling reaction to give biologically important selenium-nitrogen heterocycles. Also, copper-catalyzed selenium-nitrogen coupling reaction has been meticulously applied for the synthesis of diaryl diselenides having methoxy, amine, and amide functionality from respective aryl iodides in the presence of stoichiometric amount of succinimide as an external Se-N coupling partner.     

Knoevenagel condensation catalyzed by novel Nmm-based ionic liquids in water

A series of novel N-methyl morpholine (Nmm) based ionic liquids with 1,2-propanediol group were synthesized and used as catalysts for Knoevenagel condensation at room temperature in water. Under the effect of the catalyst, various aldehydes or aliphatic ketones could react with a wide range of activated methylene compounds well, including malononitrile, alkyl cyanoacetate, cyanoacetamide, β-diketone, barbituric acid, 2-arylacetonitrile and thiazolidinedione. Furthermore, most of the products could be separated just by filtrating and washing with water. Additionally, the catalyst is recyclable and applicable for the large-scale synthesis.     

Construction of polyheterocyclic spirotetrahydrothiophene derivatives via sulfa-Michael/aldol cascade reaction

A series of polyheterocyclic spirotetrahydrothiophene derivatives were obtained in moderate to excellent yields via a catalyst-free sulfa-Michael/aldol cascade reaction of chalcones 1 and commercially available 1,4-dithiane-2,5-diol 2 under mild conditions. We also present the first asymmetric sulfa-Michael/aldol cascade reaction of chalcones 1 and commercially available 1,4-dithiane-2,5-diol 2 with moderate to good enantioselectivities catalyzed by readily available chiral phase-transfer catalysts (PTCs).     

Suzuki-Miyaura reactions of the soluble guanylate cyclase inhibitor NS2028: a non-product specific route to C-8 substituted analogues

Both soluble guanylate cyclase (sGC) inhibitors ODQ 1 and NS2028 2 are synthesized via improved protocols. In the former case treating 3,4-dihydroquinoxalin-2(1H)-one oxime 8, which can be prepared in two steps from 1,2-benzenediamine, with 1,1′-carbonyldiimidazole (CDI) gives the dihydro-ODQ 10 that in the presence of KMnO₄ oxidises to give ODQ 1 in an overall yield of 46% starting from 1,2-benzenediamine. In the latter case, the synthesis affords NS2028 2 from 2-amino-4-bromophenol 3 in three steps with an overall yield of 85% and avoids the need for chromatography. Furthermore, Suzuki-Miyaura reaction conditions are described that enable the preparation of 8-aryl and 8-heteroaryl derivatives of NS2028 directly from NS2028 2. Finally, demethylation of the 8-(methoxyphenyl) substituted analogues afforded the 8-(hydroxyphenyl) derivatives 40-42. All new products are fully characterised.