On the formulation of linear driving force approximations for adsorption and desorption of multicomponent gaseous mixtures in sorbent particles

Serbezov, Atanas; Sotirchos, Stratis V.

doi:10.1016/s1383-5866(01)00146-0

Cited by 22 publications

(20 citation statements)

References 29 publications

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“…In our case, the dissociative form of adsorption dominates for the oxygen sensor working at temperatures of 700-900°C, and consequently, the adsorption isotherm differs from the linear Langmuir adsorption isotherm [35,36].…”

Section: Resultsmentioning

confidence: 74%

Mathematical model of electrochemical gas sensors with distributed temporal and spatial parameters and its transformation to models of the real YSZ-based sensors

Zhuiykov

2006

Ionics

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The activity in the field of computer-aided optimum design in engineering of electrochemical gas sensors has been increasing steadily over the last decade. A vast range of models exist today, varying in complexity and in the number of assumptions employed. However, the emphasis in a majority of the models has been either on the transport processes or on the electrochemical processes. This manuscript presents a complete mathematical model of electrochemical gas sensors, represented as a system of the partial differential equations of parabolic and hyperbolic types and the algorithm of transfer from the complete model to models of specific sensors. A complete mathematical model shows that the physic-electro-chemical processes occurring in the electrochemical gas sensors can be described more accurately. Presented mathematical model together with the proposed algorithm provides a decision-making tool for better optimal design of the solid electrolyte gas sensors. An example of transfer from a complete model to real model of the yttria-stabilized zirconia (YSZ)-based potentiometric gas sensors has been shown for the YSZ-based oxygen sensor with Pt sensing electrode (SE) and metal-metal oxide (Me-MeO) reference electrode (RE). Verification of the adequacy of the mathematical model to real gas sensor has been evaluated by the Fisher criterion.

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Section: Resultsmentioning

confidence: 74%

Mathematical model of electrochemical gas sensors with distributed temporal and spatial parameters and its transformation to models of the real YSZ-based sensors

Zhuiykov

2006

Ionics

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“…39,40 Studies show that adsorption kinetics of various gases or vapors on porous materials, such as activated carbon, metal-organic framework materials and carbon molecular sieves, can be well tted to the LDF model. 25,[41][42][43] In this study we choose the LDF model to simulate the adsorption-desorption kinetics of benzene onto the synthesized typical HCP-1.3 and HCP-0.…”

Section: Adsorption and Desorption Kineticsmentioning

confidence: 99%

Adsorption properties of benzene and water vapor on hyper-cross-linked polymers

et al. 2013

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A series of hyper-cross-linked polymers (HCPs) was synthesized via a post-cross-linking reaction using lowcross-linked polydivinylbenzene (PDVB) as precursor and 4,4 0 -bis(chloromethyl)biphenyl (BCMBP) as crosslinking reagent. The effects of various amounts of BCMBP on the structures of the hyper-cross-linked polymers were discussed. The resultant typical HCP-1.3 possesses hierarchical micro/meso pore structures and a high stability up to 400 C. The increased specific surface area and total pore volume of HCP-1.3, which reach 1231 m 2 g À1 and 1.99 cm 3 g À1 , respectively, imply the high cross-linking ability of BCMBP.In order to study the adsorption properties of HCP-1.3, benzene and water were selected as typical adsorbates for their non-polar and polar characteristics. The static adsorption amount of benzene on HCP-1.3 is 30.0 mmol g À1, which is two times higher than the corresponding adsorbed water amount, suggesting a potential hydrophobic property of HCP-1.3. Dynamic adsorption was performed with a fixed-bed column to simulate the real situation under dry and 30% relative humidity conditions. The results show the dynamic adsorption amount under the 30% relative humidity condition is as high as 90% of the value under dry conditions, implying HCP-1.3 would be a promising adsorbent for VOC adsorption under both dry and humid conditions.

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“…Parabolic Rice, 1986, 1955;Do and Mayfield, 1987;Tomida and McCoy, 1987;Do and Nguyen, 1988;Buzanowski and Yang, 1989;Buzanowski and Yang, 1991;Yao and Tien, 1992;Zhang and Ritter, 1997;Botte et al, 1998Botte et al, , 1999Li and Yang, 1999;Serbezov and Sotirchos, 2001;Ritter, 2002a, 2002b), and higher order polynomial (Do and Rice, 1986;Do and Mayfield, 1987;Do and Nguyen, 1988;Yang, 1989, 1991;Li and Yang, 1999;Serbezov and Sotirchos, 2001;Gadre and Ritter, 2002b) concentration profile approximations have all been examined for mathematical simplification, with the intent of providing reasonable approximations to intraparticle adsorption and diffusion. In some cases, only adsorption uptake in a single particle has been considered using a step or square wave function as the constant boundary condition at the particle surface Rice, 1986, 1995;Do and Mayfield, 1987;Tomida and McCoy, 1987;Do and Nguyen, 1988;Zhang and Ritter, 1997;Botte et al, 1998;Botte et al, 1999;Ritter, 2002a, 2002b).…”

Section: Introductionmentioning

confidence: 99%

“…In some cases, only adsorption uptake in a single particle has been considered using a step or square wave function as the constant boundary condition at the particle surface Rice, 1986, 1995;Do and Mayfield, 1987;Tomida and McCoy, 1987;Do and Nguyen, 1988;Zhang and Ritter, 1997;Botte et al, 1998;Botte et al, 1999;Ritter, 2002a, 2002b). In other cases, both adsorption uptake and desorption release in a single particle have been considered, usually in a cyclic fashion using step or square wave functions Yang, 1989, 1991;Serbezov and Sotirchos, 2001), or even more complicated periodic functions like linear and exponential (Serbezov and Sotirchos, 2001). Some of these studies have also developed expressions that describe the uptake in batch adsorbers (Do and Rice, 1995;Yao and Tien, 1992;Li and Yang, 1999).…”

Section: Introductionmentioning

confidence: 99%

“…Some of these studies have also developed expressions that describe the uptake in batch adsorbers (Do and Rice, 1995;Yao and Tien, 1992;Li and Yang, 1999). In addition, a few of the cyclic studies have focused on improving these kinds of approximate models for use in very short cycle time situations Yang, 1989, 1991;Serbezov and Sotirchos, 2001), like those associated with the simulation of rapid PSA. Although the LDF model (which is always equivalent to assuming a parabolic intraparticle concentration profile) does not perform well in predicting the intraparticle transport for short cycle times (Rodrigues and Dias, 1998), the accuracy of the polynomial concentration profile approximation tends to increase with the degree of the polynomial (Serbezov and Sotirchos, 2001).…”

Section: Introductionmentioning

confidence: 99%

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Further Validation of the Quartic Concentration Profile Approximation for Describing Intraparticle Transport in Cyclic Adsorption Processes

2005

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Models developed previously by the authors that describe nonlinear adsorption, and simultaneous pore and surface diffusion in a single particle, that are based on intraparticle quartic and parabolic concentration profile approximations, and that utilize the summation of the gas and adsorbed phases approach in the material balance formulations, were further validated under more diverse, yet more realistic, cycling conditions. Periodic square, sinusoidal and triangular wave functions were used to more accurately represent the periodic boundary conditions that the external surface of an adsorbent particle may be exposed to during repeated adsorption and desorption cycles in a fixed bed adsorber. Analytical solutions that describe the periodic uptake and release of the adsorbate by the adsorbent were obtained for all three periodic wave functions, and for both the quartic and parabolic profile approximations. By comparing the predictions obtained from both models with the exact numerical solution, the superiority of the quartic model over the parabolic model was clearly demonstrated for all wave functions, and for a wide range of adsorbate-adsorbent systems and bulk concentrations. Excellent agreement between the quartic and exact models was obtained in most cases. In general, the predictions improved as the wave function changed more gradually with time (triangular more gradual than sinusoidal and sinusoidal more gradual than square), as the degree of mathematical linearity of the adsorbate-adsorbent system increased, and as the maximum external surface concentration decreased (an isotherm nonlinearity effect). Subtle differences in the predictive ability of the new approximate models, stemming from the use of the different wave functions, were exposed. Overall, these results exemplify the importance of comparing the predictive ability of new approximate models that describe intraparticle transport under more diverse cycling conditions than are typically utilized in the literature, which has been dominated by the square wave function.

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On the formulation of linear driving force approximations for adsorption and desorption of multicomponent gaseous mixtures in sorbent particles

Cited by 22 publications

References 29 publications

Mathematical model of electrochemical gas sensors with distributed temporal and spatial parameters and its transformation to models of the real YSZ-based sensors

Mathematical model of electrochemical gas sensors with distributed temporal and spatial parameters and its transformation to models of the real YSZ-based sensors

Adsorption properties of benzene and water vapor on hyper-cross-linked polymers

Further Validation of the Quartic Concentration Profile Approximation for Describing Intraparticle Transport in Cyclic Adsorption Processes

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