Exact ODE Framework for Classical and Quantum Corrections for the Lennard-Jones Second Virial Coefficient

The second virial coefficient (SVC) of the Lennard-Jones fluid is a cornerstone of molecular theory, yet its calculation has traditionally relied on the complex integration of the pair potential. This work introduces a fundamentally different approach by reformulating the problem in terms of ordinary differential equations (ODEs). For the classical component of the SVC, we generalize the confluent hypergeometric and Weber-Hermite equations. For the first quantum correction, we present entirely new ODEs and their corresponding exact-analytical solutions. The most striking result of this framework is the discovery that these ODEs can be transformed into Schrödinger-like equations. The classical term corresponds to a harmonic oscillator, while the quantum correction includes additional inverse-power potential terms. This formulation not only provides a versatile method for expressing the virial coefficient through a linear combination of functions (including Kummer, Weber, and Whittaker functions) but also reveals a profound and previously unknown mathematical structure underlying a classical thermodynamic property.

Authors

Institutions

Publication Details

Journal
Entropy
Published
2025-10-11
DOI
https://doi.org/10.3390/e27101059
Citations
1
Primary Topic
Phase Equilibria and Thermodynamics
Type
article
Field-Weighted Citation Impact
0.67
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Exact ODE Framework for Classical and Quantum Corrections for the Lennard-Jones Second Virial Coefficient

Celia Martínez-Lázaro, Antonio Estrada, Alfredo González-Calderón, Jesús Horacio Hernández Anguiano et al.
1 citations
Entropy
Phase Equilibria and Thermodynamics
0.67
article

Exact ODE Framework for Classical and Quantum Corrections for the Lennard-Jones Second Virial Coefficient

Celia Martínez-Lázaro, Antonio Estrada, Alfredo González-Calderón, Jesús Horacio Hernández Anguiano, Jorge Adrián Perera-Burgos, Yanmei Li, Zixuan Zhao
article en
1 citations

Abstract

The second virial coefficient (SVC) of the Lennard-Jones fluid is a cornerstone of molecular theory, yet its calculation has traditionally relied on the complex integration of the pair potential. This work introduces a fundamentally different approach by reformulating the problem in terms of ordinary differential equations (ODEs). For the classical component of the SVC, we generalize the confluent hypergeometric and Weber-Hermite equations. For the first quantum correction, we present entirely new ODEs and their corresponding exact-analytical solutions. The most striking result of this framework is the discovery that these ODEs can be transformed into Schrödinger-like equations. The classical term corresponds to a harmonic oscillator, while the quantum correction includes additional inverse-power potential terms. This formulation not only provides a versatile method for expressing the virial coefficient through a linear combination of functions (including Kummer, Weber, and Whittaker functions) but also reveals a profound and previously unknown mathematical structure underlying a classical thermodynamic property.

EntropyVol. 27(10)
Universidad de Guanajuato (MX), Universidad Autónoma de Guerrero (MX), Center for Engineering and Industrial Development (MX), Northeastern University (CN)
Openalex Percentile: Top 26%
Phase Equilibria and Thermodynamics
0.67
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.