D1

Deiters

This is a noncubic EOS of the “perturbed hard chain” class. The attraction term is based on a square-well potential. Some terms of the equation of state were adjusted to empirical data, hence the overall performance for small compounds (even water) is quite good over wide ranges of temperature and pressure; sometimes it even returns decent caloric data.

In contrast to many other EOS, this equation can be fitted to the critical pressure, temperature, and volume simultaneously.

The EOS also includes a simple quantum correction.

adjustable parameters: 3

For mixture calculations the following mixing theories are available:

• 1F: van der Waals 1-fluid mixing theory
• Jonah0: Jonah's 0th order square-well mixing theory
• m1Fd: modified 1-fluid theory, density-dependent exponents
• m1Fdns: modified 1-fluid theory, density-dependent exponents, for chain molecules
• mmda: modified (density-dependent) mean-density approximation
• mmda1F: hybrid of mmda and 1F
• sm1Fd: simplified m1Fd, also good for multicomponent mixtures

[1] U. K. Deiters, Chem. Eng. Sci. 36 (1981) 1139–1146, 1147–1151.

[2] U. K. Deiters, Fluid Phase Equilib. 10 (1983) 173–182.

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