Distinguishing Ideal and Non-Ideal Chemical Systems Based on Kinetic Behavior
This paper focuses on differentiating between ideal and non-ideal chemical systems based on their kinetic behavior within a closed isothermal chemical environment. Non-ideality is examined using the non-ideal Marcelin–de Donde model. The analysis primarily addresses ‘soft’ non-ideality, where the eq...
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MDPI AG
2025-01-01
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| author | Gregory Yablonsky Vladislav Fedotov |
| author_facet | Gregory Yablonsky Vladislav Fedotov |
| author_sort | Gregory Yablonsky |
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| description | This paper focuses on differentiating between ideal and non-ideal chemical systems based on their kinetic behavior within a closed isothermal chemical environment. Non-ideality is examined using the non-ideal Marcelin–de Donde model. The analysis primarily addresses ‘soft’ non-ideality, where the equilibrium composition for a reversible non-ideal chemical system is identical to the corresponding composition for the ideal chemical system. Our approach in distinguishing the ideal and non-ideal systems is based on the properties of the special event, i.e., event, the time of which is well-defined. For the single-step first-order reaction in the ideal system, this event is the half-time-decay point, or the intersection point. For the two consecutive reversible reactions in the ideal system, A ↔ B ↔ C, this event is the extremum obtained within the conservatively perturbed equilibrium (CPE) procedure. For the non-ideal correspondent models, the times of chosen events significantly depend on the initial concentrations. The obtained difference in the behavior of the times of these events (intersection point and CPE-extremum point) between the ideal and non-ideal systems is proposed as the kinetic fingerprint for distinguishing these systems. |
| format | Article |
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| institution | Kabale University |
| issn | 1099-4300 |
| language | English |
| publishDate | 2025-01-01 |
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| series | Entropy |
| spelling | doaj-art-62fe75723bc147ebacf17479e0db1ce82025-01-24T13:31:55ZengMDPI AGEntropy1099-43002025-01-012717710.3390/e27010077Distinguishing Ideal and Non-Ideal Chemical Systems Based on Kinetic BehaviorGregory Yablonsky0Vladislav Fedotov1Department of Energy, Environmental and Chemical Engineering, McKelvey School of Engineering, Washington University in St Louis, St. Louis, MO 63130, USADepartment of Information Systems, Chuvash State University, Moskovsky pr. 15, 428015 Cheboksary, RussiaThis paper focuses on differentiating between ideal and non-ideal chemical systems based on their kinetic behavior within a closed isothermal chemical environment. Non-ideality is examined using the non-ideal Marcelin–de Donde model. The analysis primarily addresses ‘soft’ non-ideality, where the equilibrium composition for a reversible non-ideal chemical system is identical to the corresponding composition for the ideal chemical system. Our approach in distinguishing the ideal and non-ideal systems is based on the properties of the special event, i.e., event, the time of which is well-defined. For the single-step first-order reaction in the ideal system, this event is the half-time-decay point, or the intersection point. For the two consecutive reversible reactions in the ideal system, A ↔ B ↔ C, this event is the extremum obtained within the conservatively perturbed equilibrium (CPE) procedure. For the non-ideal correspondent models, the times of chosen events significantly depend on the initial concentrations. The obtained difference in the behavior of the times of these events (intersection point and CPE-extremum point) between the ideal and non-ideal systems is proposed as the kinetic fingerprint for distinguishing these systems.https://www.mdpi.com/1099-4300/27/1/77non-ideal chemical systemsMarcelin–de Donde kineticone- and two-step mechanismintersection pointCPE-extremum pointfingerprint |
| spellingShingle | Gregory Yablonsky Vladislav Fedotov Distinguishing Ideal and Non-Ideal Chemical Systems Based on Kinetic Behavior Entropy non-ideal chemical systems Marcelin–de Donde kinetic one- and two-step mechanism intersection point CPE-extremum point fingerprint |
| title | Distinguishing Ideal and Non-Ideal Chemical Systems Based on Kinetic Behavior |
| title_full | Distinguishing Ideal and Non-Ideal Chemical Systems Based on Kinetic Behavior |
| title_fullStr | Distinguishing Ideal and Non-Ideal Chemical Systems Based on Kinetic Behavior |
| title_full_unstemmed | Distinguishing Ideal and Non-Ideal Chemical Systems Based on Kinetic Behavior |
| title_short | Distinguishing Ideal and Non-Ideal Chemical Systems Based on Kinetic Behavior |
| title_sort | distinguishing ideal and non ideal chemical systems based on kinetic behavior |
| topic | non-ideal chemical systems Marcelin–de Donde kinetic one- and two-step mechanism intersection point CPE-extremum point fingerprint |
| url | https://www.mdpi.com/1099-4300/27/1/77 |
| work_keys_str_mv | AT gregoryyablonsky distinguishingidealandnonidealchemicalsystemsbasedonkineticbehavior AT vladislavfedotov distinguishingidealandnonidealchemicalsystemsbasedonkineticbehavior |