A thermodynamically consistent explicit competitive adsorption isotherm model based on second-order single component behaviour

Ilić, Milica; Flockerzi, Dietrich; Seidel‐Morgenstern, A.

doi:10.1016/j.chroma.2010.02.006

Cited by 23 publications

(18 citation statements)

References 21 publications

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“…Then, the set of Eqs. (10), (11), (13) or (15), (16) can be solved to calculate the adsorbed phase concentration of all sample components and the modifier provided that the single component dependencies (in a weak solvent)…”

Section: Prediction By the Ast Modelmentioning

confidence: 99%

Thermodynamics of Multicomponent Liquid Chromatography

Antos

Pia̧tkowski

2016

Chemie Ingenieur Technik

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Thermodynamic models of multicomponent adsorption in liquid chromatography are summarized and reviewed. A general description of adsorption equilibrium is presented, which is followed by simplified approaches that can be adopted for practical applications. Synergistic and competitive adsorption effects accompanying chromatographic elution are illustrated and methods of their predictions are indicated. The influence of a mobile phase modifier on the retention behavior of chromatographed species is discussed. A manner of mathematical predictions of competitive adsorption of modifiers and solutes is presented. Also in this case the analysis starts with a thermodynamically grounded general description and ends with simplified models suitable for practical purposes of design and optimization of chromatographic separations.

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Section: Prediction By the Ast Modelmentioning

confidence: 99%

Thermodynamics of Multicomponent Liquid Chromatography

Antos

Pia̧tkowski

2016

Chemie Ingenieur Technik

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“…The roots of this polynomial can be derived analytically by applying the formulae of Cardano. The problem is solved by selecting the physically meaningful root . We observe that with this type of ansatz, we have introduced the original liquid phase concentrations ( c 1 , c 2 ) in the form of parameters to the problem.…”

Section: Ideal Adsorbed Solution Theory Equationsmentioning

confidence: 99%

“…, which states that the spreading pressure exerted by every adsorbate at the hypothetical liquid phase concentrations,

c_{i}^{0}

, should be the same. As in the approach of Ilić et al our goal is to express the hypothetical liquid phase concentrations as functions of one of them, for example,

c_{k}^{0} = c_{k}^{0} (c_{1}^{0}), k = 2, 3, \dots, N

This is possible in closed form when we can compute and invert π k (

c_{k}^{0}

) explicitly. In Ilić et al this results in a third‐order polynomial with analytical formulas for the zeros.…”

Section: The New Approachmentioning

confidence: 99%

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A method for efficiently solving the IAST equations with an application to adsorber dynamics

2012

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The Ideal Adsorbed Solution Theory (IAST) developed by Myers and Prausnitz and Radke and Prausnitz provides a powerful tool to calculate multicomponent adsorption equilibria based on single component adsorption isotherms. An important aspect of the application of IAST is that it requires the solution of an implicit algebraic system of equations. Analytical solutions can be derived only for few simple single component isotherm models. This work offers a new concept to solve the equations of the IAST for mixtures of N components characterized by nondecreasing single component adsorption isotherm behavior. The approach is based on transforming the algebraic system of IAST equations to a system of ODEs with one specified initial value. This work also provides analytical expressions for the partial derivatives of the predicted adsorption equilibria and increases the efficiency of numerical calculations for fixed-bed adsorber dynamics. The strength of the solution method is illustrated in case studies. Figure 3. Trajectories for the 10 component case of Example 3.(a): Solution orbit. and (b): inset of (a) for the low-pressure region.

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“…Gritti and Guiochon derived binary Brunauer-Emmett-Teller (BET)-Langmuir [7] and BET-BET [8] isotherms, assuming that the saturation capacities of the single-component species are equal. Recently, an explicit binary quadratic-quadratic isotherm has been derived and reported [9].…”

Section: Introductionmentioning

confidence: 99%

A Method for Deriving Explicit Binary Isotherms Obeying the Ideal Adsorbed Solution Theory

Tarafder¹,

Mazzotti²

2011

Chem Eng & Technol

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A method to derive explicit binary isotherms following the ideal adsorbed solution (IAS) theory is proposed. The method is applicable to any pair of singlecomponent isotherms, as long as they fulfill a set of conditions, as described in this report. Examples of some isotherms fulfilling such conditions are: Langmuir, anti-Langmuir, Brunauer-Emmett-Teller (BET), and quadratic. Following the method proposed in this report, three previously unreported explicit binary isotherms, quadratic-BET, quadratic-Langmuir, and quadratic-anti-Langmuir, while following the IAS framework, could be derived. This work presents the method and the binary isotherms derived through this method.

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A thermodynamically consistent explicit competitive adsorption isotherm model based on second-order single component behaviour

Cited by 23 publications

References 21 publications

Thermodynamics of Multicomponent Liquid Chromatography

Thermodynamics of Multicomponent Liquid Chromatography

A method for efficiently solving the IAST equations with an application to adsorber dynamics

A Method for Deriving Explicit Binary Isotherms Obeying the Ideal Adsorbed Solution Theory

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