Applied thermodynamics in chemical technology: current practice and future challenges

Mathias, Paul M.

doi:10.1016/j.fluid.2004.10.016

Cited by 23 publications

(10 citation statements)

References 26 publications

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“…A synthesis of these data has been published by Engels and Knoche (1986) [11]. In the ternary HI-I2-H2O system recently reviewed by Mathias (2005) [12] (see figure 4), the liquid phase exhibits two immiscibility regions which are the extension of the partly miscible systems I2-H2O and HI-H2O: one for low HI contents, due to the very low miscibility of I2 in H2O, and the second one, for high HI contents and about H2O/I2 of 30% concentration. The first one tends to disappear with increasing HI concentration probably because of the formation of polyiodides ions like I3 -or I2H + .…”

Section: Thermodynamics Of Hi-mentioning

confidence: 99%

“…However, modelling inadequacies as well as a lack of fundamental data [12] lead to a non predictive and non validated behaviour of the vapour -liquid -liquid equilibria that are known to occur. A more reliable and accurate thermodynamic model for the studied system remains a challenge and the current model of Neumann can only be safely applied to perform vapour -liquid calculations.…”

Section: The Adopted Thermodynamic Model: Neumann's Model (1987)mentioning

confidence: 99%

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Vapour reactive distillation process for hydrogen production by HI decomposition from HI–I2–H2O solutions

Belaissaoui

Théry

Meyer

et al. 2008

Chemical Engineering and Processing: Process Intensification

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In this contribution, a sequential and hierarchical approach for the feasibility analysis and the preliminary design of reactive distillation columns is extended to systems involving vapour phase chemical reaction and is successfully applied to the HI vapour phase decomposition to produce H2.The complex phase and physico chemical behaviour of the quaternary HI-H2-I2-H2O system is represented by the Neumann's thermodynamic model and instantaneous vapour phase chemical equilibrium is assumed.Then, from minimal information concerning the physicochemical properties of the system, three successive steps lead to the design of the unit and the specification of its operating conditions: the feasibility analysis, the synthesis and the design step. First, the analysis of reactive condensation curve map method (rCCM), assuming infinite internal liquid and vapour flow rate and infinite reflux ratio, is used to assess the feasibility of the process. It determines the column structure and estimates the attainable compositions. These results are used as inputs data for the synthesis step. Based on the boundary value 2 design method (BVD), considering finite internal liquid and vapour flow rate and finite reflux ratio while neglecting all thermal effects and assuming a constant heat of vaporisation, the synthesis step provides more precise information about the process configuration (minimum reflux ratio, number of theoretical stages, localisation and number of reactive plates, position of the feed plate). Finally, the BVD method results are used to initialise rigorous simulations, based on an equilibrium stage model with energy balance, to estimate the reflux ratio taking into account thermal effect on the process.

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Section: Thermodynamics Of Hi-mentioning

confidence: 99%

Section: The Adopted Thermodynamic Model: Neumann's Model (1987)mentioning

confidence: 99%

Vapour reactive distillation process for hydrogen production by HI decomposition from HI–I2–H2O solutions

Belaissaoui

Théry

Meyer

et al. 2008

Chemical Engineering and Processing: Process Intensification

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“…Screening for solvents and calculating the solubility of pharmaceuticals in the selected solvents are important tasks in the pharmaceutical industry [9][10][11][12][13]. The thermodynamic properties of pharmaceuticals and other biomolecules are of importance for rational design and optimizing separations such as crystallization, but they are also relevant to understanding the complex phenomena and interactions, e.g., aggregation, associated with certain diseases.…”

Section: Medicinal Research and Solvent Selectionmentioning

confidence: 99%

The Role of Chemical Engineering in Medicinal Research Including Alzheimer’s

Kontogeorgis

2014

Advances in Experimental Medicine and Biology

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Various disciplines of chemical engineering, especially thermodynamics and kinetics, play an important role in medicinal research and this has been particularly recognized during the last 10-15 years (von Stockar and van der Wielen, J Biotechnol 59:25, 1997; Prausnitz, Fluid Phase Equilib 53:439, 1989; Prausnitz, Pure Appl Chem 79:1435, 2007; Dey and Prausnitz, Ind Eng Chem Res 50:3, 2011; Prausnitz, J Chem Thermodynamics 35:21, 2003; Tsivintzelis et al. AIChE J 55:756, 2009). It is expected that during the twenty-first century chemical engineering and especially thermodynamics can contribute as significantly to the life sciences development as it has been done with the oil and gas and chemical sectors in the twentieth century. Moreover, it has during the recent years recognized that thermodynamics can help in understanding diseases like human cataract, sickle-cell anemia, Creuzfeldt-Jacob ("mad cow" disease), and Alzheimer's which are connected to "protein aggregation." Several articles in the Perspectives section of prominent chemical engineering journals have addressed this issue (Hall, AIChE J 54:1956, 2008; Vekilov, AIChE J 54:2508, 2008). This work reviews recent applications of thermodynamics (and other areas of chemical engineering) first in drug development and then in the understanding of the mechanism of Alzheimer's and similar diseases.

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“…• Mathias model (ASPENOne Software, GA USA): Mathias [29] has developed a model that utilizes the electrolyte-NRTL model and the concepts of hydration and ions-water complex formation. This picture is a much more realistic description of the system.…”

Section: Thermodynamic Models Used In the Literature For The Simulatimentioning

confidence: 99%

“…That is, the models are fitted to the experimental data, whereas solving at each experimental data point the problem of Eq. (29). An optimization framework for this task has been developed, which covers the cases of fitting the parameters of the NRTL model to liquid-liquid, vapor-liquid and vapor-liquid-liquid equilibrium problems.…”

Section: Parameter Estimation and Phase Stability In Phase Equilibriumentioning

confidence: 99%

Dynamic Simulation and Optimization of Nuclear Hydrogen Production Systems

Barton¹,

Kaximi²,

Bollas³

et al. 2009

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Applied thermodynamics in chemical technology: current practice and future challenges

Cited by 23 publications

References 26 publications

Vapour reactive distillation process for hydrogen production by HI decomposition from HI–I2–H2O solutions

Vapour reactive distillation process for hydrogen production by HI decomposition from HI–I2–H2O solutions

The Role of Chemical Engineering in Medicinal Research Including Alzheimer’s

Dynamic Simulation and Optimization of Nuclear Hydrogen Production Systems

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