Cranium物性估算小软件，比aspen估算操作简单，人人都能上手

chenduoan

化结构式，物性估算，操作两步，简单功能强大

CRANIUM - Property Estimation Software

Cranium is a physical property estimation software package capable of predicting values for more than 30 physical properties. Estimates are generated for both pure components and mixtures. Simply draw your compound's molecular structure or enter its composition and Cranium automatically analyzes the structure for important functional groups, selects the best estimation technique, retrieves any required property data, and provides you with the most accurate estimate possible.

Estimated Physical Properties

Some of the properties Cranium estimates include:

Absolute Entropy Acentric Factor Activity Coefficient Aquatic Toxicity Boiling Point Bubble Point Chemical Oxygen Demand Critical Pressure Critical Temperature Critical Volume Densities Diffusion Coefficients Dew Point Enthalpy of Formation Enthalpy of Fusion Enthalpy of Vaporization Flash Point Freezing Point Fugacity Coefficient Gibbs Energy of Formation Heat Capacities Henry's Constant Lower Flammability Limit Melting Point Molecular Weight Octanol-Water Partition Refractive Index Solubility Parameter Surface Tension Thermal Conductivities Upper Flammability Limit Vapor Pressure Viscosities Water Solubility

Estimation Techniques

We are continually adding new estimation techniques to Cranium. Click here for a current listing of techniques. Below is an abbreviated listing of some of the techniques included in Cranium's Common Chemicals knowledge base:

Activity Coefficient, VLE - f(T,P,X) Holmes + van Winkle, Margules - 500 mmHg Holmes + van Winkle, van Laar - 500 mmHg Holmes + van Winkle, Wilson - 760 mmHg DECHEMA, Margules - 500 mmHg DECHEMA, NRTL - 500 mmHg UNIFAC Method MOSCED Autoignition Temperature Chen + Liaw + Kuo Method Boiling Point Antoine Equation - PGL 2001 Stein + Brown Method Joback Method Critical Pressure Vapor Pressure Extrapolation Wilson + Jasperson Method Myers + Danner Technique Lydersen Method Joback Method Critical Pressure - f(X) Chueh + Prausnitz Method Kreglewski + Kay Method Critical Temperature Wilson + Jasperson Method - First Order Myers + Danner Technique Klincewicz Method Fedors Technique Lydersen Method Joback Method Tu Method Critical Temperature - f(X) Chueh + Prausnitz Method Li Technique Density, Liquid - f(T) Soave + Redlich + Kwong EOS Modified Rackett Equation Hankinson + Thomson Redlich + Kwong EOS IAPWS Formula 1995 Dippr Equation 105 Bhirud Technique Rackett Equation GCVol Method Density, Liquid - f(T,P) Thomas + Brobst + Hankinson Method Enthalpy of Vaporization at Tb Vetere Method Riedel Method Joback Method Chen Method Flammability Limit, Lower Shebeko Modified Technique Shebeko Atom Technique Seaton Method Flash Point, Closed Cup Butler + Cooke + Lukk + Jameson Method Satyanarayana + Kakati Method Catoire + Naudet Method Hshieh Organics Method Affens Method Patil Method Flash Point, Closed Cup - f(X) Catoire + Paulmier + Naudet Ideal Method Catoire + Paulmier + Naudet Method Liaw + Tang + Lai Method Heat Capacity - Isobaric, Liquid Poling + Prausnitz + O'Connell CSP Method IUPAC Cubic Splines Dippr Equation 100 Missenard Method Henry's Constant (px) in H2O - f(T) Fernández-Prini + Alvarez + Harvey Method Carroll + Slupsky + Mather Method LC50 96hr, Fathead Minnow LC50,96hr,FatMn: Martin + Young Method Surface Tension, Liquid - f(T) SurfTn,l (T): Dippr Equation 106 Sastri + Rao Method Brock + Bird Method Thermal Conductivity, Liquid - f(T,X) Jamieson + Irving + Tudhope Correlation Power Law Relation Filippov Equation Thermal Conductivity, Vapor - f(T) Modified Eucken Correlation Stiel + Thodos Method Dippr Equation 102 Eucken Correlation Thermal Conductivity, Vapor - f(T,P) Stiel + Thodos High Pressure Method VLE, Bubble Temperature - f(P,X) Ideal-Ideal Method Gamma-Ideal Method Phi-Phi Method Vapor Pressure, Liquid - f(T) Riedel + Plank + Miller Equation Gómez-Nieto + Thodos Equation Antoine Equation - PGL 2001 Ambrose + Walton Method Lee + Kesler Equation IAPWS Formula 1995 Viscosity, Liquid - f(T,P) Lucas Method Viscosity, Liquid - f(T,X) Kendall + Monroe Relation Arrhenius Equation log(Octanol/Water Partition Coefficient) Lin + Sandler Method

yjh1112

好软件值得收藏学习，

chenduoan

官网http://www.molecularknowledge.com/Online/Estimation.htm

jianxinxia

很牛的样子，谢谢了

gfwolf

{:1106_362:}谢分享！

doding

You can use Cranium to find binary azeotropes.
http://www.molknow.com/CaseStudies/azeotropes.htm

wangdongda

好复杂呀{:1106_361:}

的卢

这个可以估算混合物的物性么？楼主{:1106_362:}{:1106_362:}{:1106_362:}

juniger

这个没法新建文件啊。
要破解吗？

chenduoan

juniger 发表于 2017-8-15 13:13
这个没法新建文件啊。
要破解吗？

不需要破解

chenduoan

juniger 发表于 2017-8-15 13:13
这个没法新建文件啊。
要破解吗？

点界面加号就可以新建物质，给个物质名称，然后去命令哪里选择估算所有物性就好了

chenduoan

的卢 发表于 2017-8-15 11:36
这个可以估算混合物的物性么？楼主

可以，用哪个mixture选项选择物质，选择估算方法

chenduoan

jianxinxia 发表于 2017-8-15 10:26
很牛的样子，谢谢了

去官网有两款软件 都一样功能，界面不一样都可以估算纯物质物性，混合物物性气液液平衡等

chenduoan

wangdongda 发表于 2017-8-15 10:59
好复杂呀

操作简单，新建物质，画结构，点估算{:1106_382:}

juniger

chenduoan 发表于 2017-8-15 16:24
点界面加号就可以新建物质，给个物质名称，然后去命令哪里选择估算所有物性就好了

点那个程序，点不了+啊！

touchlaven

感谢分享，估算结果准确度如何，收不收费呢

ftecagan247

谢谢分享{:1106_362:}

chenduoan

touchlaven 发表于 2017-8-15 17:26
感谢分享，估算结果准确度如何，收不收费呢

不收费，准确度自己判断，结果都让你自己选计算方法的，里面有好多物性估算模型还有文献模型

chenduoan

juniger 发表于 2017-8-15 17:24
点那个程序，点不了+啊！

安装后会加载四个文件，里面KB那个就是用来估算物性的

26974857

感谢分享
{:1106_362:}{:1106_362:}{:1106_362:}

chenduoan

这个软件也是官网另外一款，用这个也行。。功能差不多