Origins of the Failure of the Activity Virial Series
We examine the development of the virial equation of state when expressed as a series in the activity with coefficients labeled b n . Using the one-dimensional hard-rod model as a prototype, we consider steps in its development that introduce inaccuracy that leads it to form a divergent series. We d...
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| Published in: | The journal of physical chemistry. B Vol. 127; no. 16; pp. 3690 - 3700 |
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| Main Author: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
American Chemical Society
27-04-2023
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| Subjects: | |
| Online Access: | Get full text |
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| Summary: | We examine the development of the virial equation of state when expressed as a series in the activity with coefficients labeled b n . Using the one-dimensional hard-rod model as a prototype, we consider steps in its development that introduce inaccuracy that leads it to form a divergent series. We discuss the role of volume dependence of the virial coefficients and present expressions and calculations for volume-dependent coefficients b n (V) for the hard-rod model up to n = 200. We examine alternative methods for computing properties from the b n . We recommend that further efforts be made to compute volume-dependent virial coefficients as a means to understand better the virial equation of state and to make it more robust in applications. |
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| Bibliography: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
| ISSN: | 1520-6106 1520-5207 |
| DOI: | 10.1021/acs.jpcb.3c00807 |