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Relevant bibliographies by topics / SAFT-VR equation of state

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Dissertations / Theses

Academic literature on the topic 'SAFT-VR equation of state'

Author: Grafiati

Published: 4 June 2021

Last updated: 6 February 2022

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Dissertations / Theses on the topic "SAFT-VR equation of state"

1

Brand, Charles. "CO2 capture using monoethanolamine solutions : development and validation of a process model based on the SAFT-VR equation of state." Thesis, Imperial College London, 2013. http://hdl.handle.net/10044/1/18081.

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The development of a predictive model for an absorber-desorber process for the separation of carbon dioxide (CO2) from a gas stream using an aqueous alkanolamine solution as a solvent is presented. Post-combustion carbon dioxide capture by absorption with aqueous amine solvents is likely to play an important role in climate change mitigation, by helping to reduce a significant fraction of CO2 emissions from fossil fuel power plants. There are, however, a number of concerns with the large scale deployment of this technology, including energy requirements, solvent degradation and the environment

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2

Magadi, Suma. "Use of an Integrate Method to Trace Coexistence Curves: Application to Pure and Multi-Component Mixtures." University of Akron / OhioLINK, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=akron1399555573.

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3

Kakalis, Nikolaos Matthaios. "Reliable and efficient use of SAFT equation of state in process modelling." Thesis, Imperial College London, 2006. http://hdl.handle.net/10044/1/11370.

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4

De, Villiers Adriaan Jacobus. "Evaluation and improvement of the sPC-SAFT equation of state for complex mixtures." Thesis, Stellenbosch : Stellenbosch University, 2011. http://hdl.handle.net/10019.1/17924.

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Thesis (PhD)--Stellenbosch University, 2011.<br>ENGLISH ABSTRACT: Efficient process design commonly relies on equation-of-state (EOS) models to provide reliable estimates of thermodynamic properties. The accuracy of EOS models, in turn, depends on the extent to which they account for intermolecular forces. The aim of this project was to improve the simplified Perturbed Chain - Statistical Associating Fluid Theory (sPC-SAFT), enabling it to account more accurately for complex molecular interactions. The more simple SAFT-based Cubic-Plus-Association (CPA) model was evaluated along similar l

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5

Jaber, Mona. "Extension of the predictive GC-PPC-SAFT Equation of State to multifunctional molecules." Thesis, Sorbonne université, 2018. http://www.theses.fr/2018SORUS476.

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Le but de cette thèse est de développer un modèle prédictif pour les calculs d'équilibres de phases en présence de molécules multifonctionnelles: c’est-à-dire des composés purs ramifiés avec plusieurs groupes polaires et des mélanges de ces composés avec l'eau et les alcanes. Deux défis sont identifiés:(1) Le branchement : un modèle GC-PPC-SAFT hétérosegmenté capable de prendre en compte la connectivité entre segments par rapport à l’homosegmenté disponible à ce jour a été codé dans le serveur IFPEN en collaboration avec l'Université de Stuttgart. Le paramétrage est ensuite basé sur une préala

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6

Llovell, Ferret Fèlix Lluís. "Accurate description of the critical region by a molecular-based equation of state with a crossover treatment." Doctoral thesis, Universitat Autònoma de Barcelona, 2006. http://hdl.handle.net/10803/3279.

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El progrés i les millores assolides en el camp industrial han empès els investigadors a buscar eines més refinades per tal de modelar aquests processos amb un major grau de precisió. Les propietats termofísiques són necessàries i el seu coneixement ha de ser molt precís, ja que una predicció poc acurada pot afectar el disseny d'una operació unitària, amb una consegüent pèrdua de rendiment i diners. <br/>Actualment, els models teòrics han progressat com a eines modernes que poden proveir a l'usuari d'una quantitat ingent d'informació sobre un fluid de manera ràpida, neta i barata. En qualsevol

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7

Yaroson, Omolara. "Force field parameters from the SAFT equation of state for the molecular simulation of fused molecules." Thesis, Imperial College London, 2014. http://hdl.handle.net/10044/1/25521.

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In this work, the analytical SAFT-γ Mie equation of state (EoS) is used in the efficient development of intermolecular force field parameters which can be used in direct molecular simulation for a range of fused dimer molecules. In its original formulation, the SAFT-γ Mie EoS only provides a direct link to the force field parameters for tangent models. A novel development here is to extend the application of the equation of state to obtain intermolecular potentials for fused models which more faithfully mimic realistic molecules. The proposed methodology consists of a two stage process: - An e

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8

Trinh, Thi Kim Hoang. "Prediction of Phase Equilibria Associated with Hydrotreating Process of Biomass by GC-PPC-SAFT Equation of State." Thesis, Sorbonne Paris Cité, 2015. http://www.theses.fr/2015USPCD074/document.

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L'objectif de cette thèse est de développer un outil prédictif pour calculer les équilibres vapeur-liquide (VLE) associé à l'opération d'hydrotraitement à partir de biomasse pour la simulation de processus. La construction d'une base de données de solubilité fiables d'hydrogène et d'autres gaz d'hydrotraitement ont été réalisées. Le modèle utilisé a pour base l’équation Groupe Contribution- Polar Perturbed Chain - statistique Associer Fluid Theory (GC-PPC-SAFT), qui est version de PC-SAFT combiné avec la contribution de groupes proposé par Tamouza et un terme polaire développé par Nguyen Huynh

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9

Soo, Chien-Bin. "Experimental thermodynamic measurements of biofuel-related associating compounds and modeling using the PC-SAFT equation of state." Paris, ENMP, 2011. https://pastel.hal.science/pastel-00666125.

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Le rôle croissant des biocarburants dans le marché de l'énergie a stimulé un regain d'intérêt dans l'étude des composés oxygénés. Les avancés dans le domaine des biocarburants proviennent de l'acquisition de données éxperimentales fiables, et du développement de modèles thermodynamiques qui rendent compte des phénomènes associatifs. Les mesures des constituants des biocarburants montrent souvent la coexistantes de phases multiples dont les interactions complexes ne se conforment que rarement aux méthodes conventionnels de modélisation. L'objectif de ce travail est de résoudre cette équation so

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10

Lazarou, Georgia. "Development of the SAFT-γ Mie equation of state for predicting the thermodynamic behaviour of strong and weak electrolyte solutions". Thesis, Imperial College London, 2017. http://hdl.handle.net/10044/1/60588.

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The thermodynamic modelling of fluid mixtures containing electrolytes using the SAFT-γ Mie equation of state is addressed in detail in this thesis. The SAFT-γ Mie approach allows the implementation of heteronuclear molecules using a group-contribution formalism, and offers a versatile framework for developing models to describe molecules of varying chemical functionality for a broad range of physical properties. In the present work, the SAFT-γ Mie equation of state is extended to electrolyte mixtures with the incorporation of the primitive unrestricted mean spherical approximation (MSA-PM) for

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