沸点计算相关工具软件
初学有机化学时,实验教材附录中有张沸点与压力关系的经验图,用尺子连线找交叉点,估计化合物在某压力下的沸点值。后来才知道出处是Science of petroleum,Vol.II.p.1281(1938)。尽管方便,但是不怎么准确。
某日发现小木虫有个叫“减压蒸馏 沸点查询.exe”的flash,用起来还顺手。
之后通过网络检索找到CCEBBS上挂有Vapour pressure applet的在线查询页面,使用非常方便。不过需要使用者在电脑中预先安装JRE。
这个名为Vapour pressure applet的java程序,源于大学生毕业季Goodman小组。程序特点如下:
∙ 蓝色 - 水蒸汽压力曲线
∙ 黄色 - 用如何治疗水痘>35用英语怎么说Trouton规则计算的蒸汽压曲线
∙ 灰色 - 甲烷蒸汽压曲线
∙ 绿色 - 用Trouton-Hildebrand-Everett规则计算的蒸汽压曲线,最为准确
两种使用方法:
(1) 在左上方输入初始压力、及该压力下的沸点,用鼠标点击曲线。
(2) 在左上方输入初始压力,及该压力下的沸点,在右下方输入压力或沸点,然后按计算按钮
让人高兴的,有人将页面程序提取出来了,只需安装Java虚拟机就行了。
顺藤摸瓜深度检索后发现原来这个西安旅游必去景点Goodman小组是英国剑桥大学的。原文如下:
工作情况汇报
Trouton's rule ( F. Trouton. Nature 1883, 27, 292.) states that the entropy of vaporisation has almost the same value for many different liquids. Starting from this rule, and a liquid's boiling point at a particular pressure, the boiling point at any other pressure can be estimated. The yellow line on the applet shows the result of this calculation.
Some common substances deviate from Trouton's rule. Water and methane have unusually high and unusually low entropies of vaporisation. The results of calculations usi
ng the values are also shown on the applet (in blue and grey, respectively), to illustrate the uncertainty in the calculations.
The best results come from the Trouton-Hildebrand-Everett rule, and the are shown in green.
* Blue - Trouton's rule modified for water
* Yellow - Trouton's rule
* Grey - Trouton's rule modified for methane
* Green - if the initial pressure is atmospheric pressure, a green line corresponding to the Trouton-Hildebrand-Everett rule is also drawn. In the abnce of other information, this line is the best guess. 男士化妆品
Enter a known initial pressure and associated boiling point, and click the button just below. It is best to enter the boiling point at atmospheric pressure, if this is known. If it is n德意志人
五月丁香啪ot known, the program will estimate this value using the T-H-E rule. Click on the graph to trace along the resulting vapour-pressurecurve, or enter either the new temperature or pressure in the fields beneaththe graph and click calculate - if both fields have numbers in them the new pressure is calculated by default. The units of pressure can be changed between kPa and mmHg by clicking the kPa/mmHg button.
J. M. Goodman, P. D. Kirby, and L. O. Haustedt Tetrahedron Lett. 2000, 41, 9879-9882.