- [id] => 276
- [recorddate] => 2016:08:25:12:28:50
- [lastupdate] => 2016:08:25:12:28:50
- [type] => conference
- [place] => Online, Internet
- [subject] => chemistry - physical; informatics - models implementation; informatics - web programming; mathematics - modeling
- [relatedworks] =>
- 4 (some):
- Free software development. 3. Numerical description of soft acid with soft base titration, ?id=16
- Information theory and others for steroids separation, ?id=104
- Thermal energy efficiency analysis for residential buildings, ?id=128
- Kinetic study of saccharomyces pastorianus (carlsbergensis) multiplication, ?id=246

- 4 (some):
- [file] => ?f=276
- [mime] => application/pdf
- [size] => 187279
- [pubname] => irtual Conference on Computational Chemistry "Computational chemistry in the digital age"
- [pubinfo] => University of Mauritius
- [workinfo] => Online presentation, http://sites.uom.ac.mu/vccc/images/stories/IP16-Jantschi.pdf
- [year] => 2013
- [title] => First order derivatives of thermodynamic functions under assumption of no chemical changes
- [authors] => Lorentz JÄNTSCHI, Sorana D. BOLBOACĂ
- [abstract] =>

The total differentials of a function f of several variables are the sum of all partial differentials [1].

In the absence of chemical changes, all state thermodynamic parameters are total differentials and depend on two variables.

Identifying the heat from reversible process dQrev = T·dS and mechanical work in the form of that from quasi-static processes dwcvs = -p·dV, these two thermodinamic quantities (dQ and dw) became total differentials.

The condensed collection of the Bridgman’s thermodynamic equations [2] was used as starting point in this study. A series of codification schemas were developed and implemented in order to obtain all first order partial derivatives [3].

The results of the implementation are available at the following URL: http://l.academicdirect.org/Chemistry/ChemPhys/.

The inputs of the application are state parameters, process differentials, thermodynamic equations and gradients.

The first order partial derivatives, counting a number of two-hundred and forty equations, are displayed as the output. The transformation of an interactive interrogation is conducted in our lab in order to allow selecting the function, the variable and the constant before generation of the thermodynamic equation first order derivatives.

Refs:

1. M. Hazewinkel, Encyclopaedia of Mathematics: An Updated and Annotated Translation of the Soviet "Mathematical Encyclopaedia." Dordrecht, Netherlands: Reidel, 1988, p. 228.

2. P. W. Bridgman, Physical Review, 3, 1914, 273-281.

3. L. Jäntschi, General Chemistry Course, Academic Direct Publishing House, 2013. - [keywords] => quantitative structure-activity relationships (QSARs); linear regression analysis; model design; validation and diagnosis