# A new association-model for binary VLE of alcohol/hydrocarbon and amine/hydrocarbon mixtures

## Abstract

An association model for binary vapor-liquid equilibria (VLE) has been developed using the Poisson distribution function to describe the relation between consecutive association reactions and their equilibrium constants. This model considers the probability of consecutive association reaction and the effect of that probability on the entropy of association. The Poisson-distribution model is compared with a classical linear-association model with the same number of adjustable parameters (two equilibrium constants and one physical parameter). Both models are able to represent the properties of alcohol-hydrocarbon and amine-hydrocarbon mixtures. The Poisson-distribution model, however, appears to be superior for those mixtures where the molecules of the associating component form rings rather than chains. Analysis of the VLE data provides some trends about the behavior of the model parameters with respect to temperature and molecular size of the associating component. An appendix contains the source code for a program to calculate the activity coefficient.

- Authors:

- California Univ., Berkeley, CA (United States). Dept. of Chemical Engineering|[Lawrence Berkeley Lab., CA (United States). Chemical Sciences Div.

- Publication Date:

- Research Org.:
- Lawrence Berkeley Lab., CA (United States)

- Sponsoring Org.:
- USDOE, Washington, DC (United States)

- OSTI Identifier:
- 10146714

- Report Number(s):
- LBL-35431

ON: DE94011012; TRN: AHC29410%%28

- DOE Contract Number:
- AC03-76SF00098

- Resource Type:
- Technical Report

- Resource Relation:
- Other Information: PBD: Mar 1994

- Country of Publication:
- United States

- Language:
- English

- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 02 PETROLEUM; ALCOHOLS; THERMODYNAMIC PROPERTIES; HYDROCARBONS; AMINES; BINARY MIXTURES; MATHEMATICAL MODELS; COMPUTER PROGRAM DOCUMENTATION; FUEL ADDITIVES; CARBON MONOXIDE; AIR POLLUTION ABATEMENT; EXPERIMENTAL DATA; 400201; 023000; CHEMICAL AND PHYSICOCHEMICAL PROPERTIES; PROPERTIES AND COMPOSITION

### Citation Formats

```
Schnitzler, J.v., and Prausnitz, J.M..
```*A new association-model for binary VLE of alcohol/hydrocarbon and amine/hydrocarbon mixtures*. United States: N. p., 1994.
Web. doi:10.2172/10146714.

```
Schnitzler, J.v., & Prausnitz, J.M..
```*A new association-model for binary VLE of alcohol/hydrocarbon and amine/hydrocarbon mixtures*. United States. doi:10.2172/10146714.

```
Schnitzler, J.v., and Prausnitz, J.M.. Tue .
"A new association-model for binary VLE of alcohol/hydrocarbon and amine/hydrocarbon mixtures". United States. doi:10.2172/10146714. https://www.osti.gov/servlets/purl/10146714.
```

```
@article{osti_10146714,
```

title = {A new association-model for binary VLE of alcohol/hydrocarbon and amine/hydrocarbon mixtures},

author = {Schnitzler, J.v. and Prausnitz, J.M.},

abstractNote = {An association model for binary vapor-liquid equilibria (VLE) has been developed using the Poisson distribution function to describe the relation between consecutive association reactions and their equilibrium constants. This model considers the probability of consecutive association reaction and the effect of that probability on the entropy of association. The Poisson-distribution model is compared with a classical linear-association model with the same number of adjustable parameters (two equilibrium constants and one physical parameter). Both models are able to represent the properties of alcohol-hydrocarbon and amine-hydrocarbon mixtures. The Poisson-distribution model, however, appears to be superior for those mixtures where the molecules of the associating component form rings rather than chains. Analysis of the VLE data provides some trends about the behavior of the model parameters with respect to temperature and molecular size of the associating component. An appendix contains the source code for a program to calculate the activity coefficient.},

doi = {10.2172/10146714},

journal = {},

number = ,

volume = ,

place = {United States},

year = {1994},

month = {3}

}