Continuous Thermodynamics for Phase-Equilibrium Calculations in Chemical Process Design

Cotterman, Ronald L.; Prausnitz, John M.

doi:10.1016/b978-0-444-89032-0.50015-3

Cited by 24 publications

(8 citation statements)

References 88 publications

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“…DeDonder was the first researcher to consider a multicomponent mixture as a continuous one, discussing the theory of reactions of continuous mixtures …”

Section: Models For Reactive Continuous Mixturesmentioning

confidence: 99%

The solution of continuous kinetic lumping models using the adaptive characterization method

Rocha

Lage

2019

AIChE Journal

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The continuous kinetic lumping models are traditionally solved by methods that discretize the mixture into a large number of pseudo-components. This works proposes the usage of the adaptive characterization of continuous mixtures, grounded on the direct quadrature method of generalized moments, in the solution of kinetic lumping models, which allows a large reduction in the number of pseudo-components. Catalytic hydrogenation and hydrocracking problems were used to evaluate this methodology, comparing its results with analytical solutions or results from a classical numerical method. The results showed that the proposed methodology could accurately solve those continuous kinetic models using a small number of adaptive pseudo-components, leading to a large reduction in the computational cost of simulation when compared to the classical numerical method.

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“…DeDonder was the first researcher to consider a multicomponent mixture as a continuous one, discussing the theory of reactions of continuous mixtures …”

Section: Models For Reactive Continuous Mixturesmentioning

confidence: 99%

The solution of continuous kinetic lumping models using the adaptive characterization method

Rocha

Lage

2019

AIChE Journal

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“…Indeed, for illustrative purposes we explicitly consider below a mainstream mixture of n-alkane fuel vapors dilute in a N 2 (g) carrier gas flow. When the number of individual condensable species (N) is large enough [usually N տ O (10)], we exploit the attractive formalism of continuous mixture theory (CMT: see, for example, Gal-Or et al 5 and Cotterman and Prausnitz 6 and the references cited therein) to facilitate such engineering calculations (of T dp and the associated condensate composition, x i , i ϭ 1, 2, . .…”

Section: Motivation Background and Objectivesmentioning

confidence: 99%

Calculation of soret‐shifted dew points by continuous mixture thermodynamics

2005

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“…Analyses of polymer solutions, which can also contain many thousands of components, also benefit from a continuous approach [40,41]. A comprehensive review has been presented by Cotterman and Prausnitz [42].…”

Section: Multicomponent Fuel Effectsmentioning

confidence: 99%

Multidimensional simulation of diesel engine cold start with advanced physical submodels

Lippert¹,

Stanton

Rutland

et al. 2000

International Journal of Engine Research

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The complex physical processes occurring during cold starting of diesel engines mandate the use of advanced physical submodels in computations. The present study utilizes a continuous probability density function to represent more fully the range of compositions of commercial fuels. The model was applied to singledroplet calculations to validate the predictions against experimental results. Analysis of a high-pressure diesel spray showed axial composition gradients within the spray. Previous wall-film modelling was extended to include the continuous multicomponent fuel representation. Using these models, the cold-start behaviour of a heavy-duty diesel engine was analysed. The predictions show that multicomponent fuel modelling is critical to capturing realistic vaporization trends. In addition, the spray-film interaction modelling is crucial to capturing the spray impingement and subsequent secondary atomization. Heating the intake air temperature was shown to result in reduced ignition delay and accelerated vaporization. Increasing the fuel temperature increased vaporization prior to and away from the initial heat release. Increasing the injection pressure increased vaporization without much change in the ignition delay. Split injections, with 75 per cent of the fuel contained in the second pulse, displayed a substantial reduction in ignition delay due to ignition of the first pulse. The timing of the first injection was found to be an important parameter due to differences in the spray impingement behaviour with different timings.

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Continuous Thermodynamics for Phase-Equilibrium Calculations in Chemical Process Design

Cited by 24 publications

References 88 publications

The solution of continuous kinetic lumping models using the adaptive characterization method

The solution of continuous kinetic lumping models using the adaptive characterization method

Calculation of soret‐shifted dew points by continuous mixture thermodynamics

Multidimensional simulation of diesel engine cold start with advanced physical submodels

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