An intermolecular potential function model applied to acetylene dimer, carbon dioxide dimer, and carbon dioxide acetylene

1991 ◽  
Vol 94 (4) ◽  
pp. 2781-2793 ◽  
Author(s):  
J. S. Muenter
Keyword(s):  
Carbon Dioxide ◽  
Potential Function ◽  
Intermolecular Potential ◽  
Function Model

The virial coefficients of the carbon dioxide-ethylene system I. Pure gases

1964 ◽  
Vol 277 (1371) ◽  
pp. 448-467 ◽  
Keyword(s):  
Carbon Dioxide ◽  
Second Virial Coefficient ◽  
Virial Coefficients ◽  
Direct Determination ◽  
Expansion Method ◽  
National Physical Laboratory ◽  
Intermolecular Potential ◽  
Gaseous Mixtures ◽  
Physical Laboratory ◽  
The Relationship

This paper describes the first part of an investigation of the thermodynamic properties of gases and gaseous mixtures undertaken a few years ago at the National Physical Laboratory, with the main object of providing data on the relationship between the properties of mixtures and those of the pure constituents. The virial coefficients of carbon dioxide and ethylene have been determined by the series-expansion method over the range —10 to 200 °C, and the representation of the results by several forms of intermolecular potential has been investigated. In the case of ethylene it appears that the second virial coefficient may be represented accurately in terms of a Lennard-Jones 6:12 potential, the parameters of which are determined. In the corresponding representation for carbon dioxide there is a small but systematic discrepancy and evidence is adduced that this may be rectified by the introduction of a quadrupole interaction term on the lines of the theory developed by Pople. The value of the quadrupole moment suggested by this calculation proves to be in fairly close agreement with a recent direct determination. Work on the virial coefficients of mixtures of the two gases will be described in a further paper.

An intermolecular potential function for the Fe(II)-H2O system from ab initio calculations

1986 ◽  
Vol 30 (5) ◽  
pp. 663-670 ◽  
Author(s):  
A. Gonzàlez-Lafont ◽  
J. M. Lluch ◽  
A. Oliva ◽  
J. Bertrán
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Potential Function ◽  
Intermolecular Potential

POTENTIAL FUNCTION MODEL OF HYDROGEN BOND SYSTEMS

1959 ◽  
pp. 361-374 ◽  
Author(s):  
ELLIS R. LIPPINCOTT ◽  
JACK N. FINCH ◽  
RUDOLPH SCHROEDER
Keyword(s):  
Hydrogen Bond ◽  
Potential Function ◽  
Function Model

Research on the Methods of Reducing Carbon Emissions in Airspace Optimization

2013 ◽  
Vol 718-720 ◽  
pp. 858-862
Author(s):  
Dai Wu Zhu ◽  
Zhi Heng Liu ◽  
Shu Yang ◽  
Jian Guo Xu
Keyword(s):  
Carbon Dioxide ◽  
Regression Analysis ◽  
Carbon Emissions ◽  
Carbon Dioxide Emissions ◽  
Carbon Emission ◽  
International Community ◽  
Saving Energy ◽  
Function Model ◽  
Specific Data

The international community is increasingly concerned about saving energy and less carbon dioxide emissions. But with growing air passenger and cargo traffic, the airspace tension highlights would inevitably lead to the increase in carbon emissions. However, there is little research on the methods of reducing carbon emission in airspace optimization. So this paper does some research in this field. Firstly this paper provides and exemplifies the method for decreasing the carbon emissions in airspace optimization. Secondly it puts forward the BPR function model to estimating the amount of carbon emissions of the method of increasing the number of air routes and uses the Regression analysis to confirm the parameters αβ. At last utilizing the specific data testifies the huge contribution of reducing the amount of carbon emissions from airspace optimization.

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