Solubility of hydrogen in toluene at elevated temperatures and pressures

Simnick, James J.; Sebastian, Herbert M.; Lin, Ho-mu; Chao, Kwang‐Chu

doi:10.1021/je60079a023

Cited by 41 publications

(20 citation statements)

References 5 publications

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“…The concentrations of CO and hydrogen were set at a constant value of 0.10 mol l À 1 (ref. 47). The results of the simulation of the non-encapsulated and the encapsulated catalyst, both of the full catalysis cycle and right after the hydride migration step are displayed in Supplementary Fig.…”

Section: Methodsmentioning

confidence: 99%

Capsule-controlled selectivity of a rhodium hydroformylation catalyst

et al. 2013

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Chemical processes proceed much faster and more selectively in the presence of appropriate catalysts, and as such the field of catalysis is of key importance for the chemical industry, especially in light of sustainable chemistry. Enzymes, the natural catalysts, are generally orders of magnitude more selective than synthetic catalysts and a major difference is that they take advantage of well-defined cavities around the active site to steer the selectivity of a reaction via the second coordination sphere. Here we demonstrate that such a strategy also applies for a rhodium catalyst; when used in the hydroformylation of internal alkenes, the selectivity of the product formed is steered solely by changing the cavity surrounding the metal complex. Detailed studies reveal that the origin of the capsule-controlled selectivity is the capsule reorganization energy, that is, the high energy required to accommodate the hydride migration transition state, which leads to the minor product.

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Section: Methodsmentioning

confidence: 99%

Capsule-controlled selectivity of a rhodium hydroformylation catalyst

et al. 2013

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“…Regular solution theory was used for estimation of solubility [18,32] . The hydrogen solubility in different species data was taken from various literature sources [19,20,21,31] .…”

Section: Mathematical Model Of Glls Reactormentioning

confidence: 99%

Modeling G-L-L-S Reactor: A Case of Hydrogenation of Nitrobenzene

Sharma

Patwardhan

Ranade

2017

Ind. Eng. Chem. Res.

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Gas–liquid–liquid–solid (GLLS) reaction systems are often encountered in manufacturing of fine and specialty chemicals. More often than not, such reaction systems involve multiple reactions, and selectivity toward the desired component always poses challenges. An adequate understanding of various parameters affecting GLLS reactor performance is essential to develop strategies for realizing desired selectivity. In this work, a comprehensive reaction engineering model for simulating four phase hydrogenation reactions has been developed. A generalized mixing cell based framework for a reaction system with four interacting phases (gas [G], aqueous [L], organic [L], and solid catalyst [S]) was developed. The model is written in a general way so as to specify one of the liquid phases as a continuous phase, and the other three phases are dispersed into it. In each cell, vapor space is included. The model includes the possibility of evaporation of solvent and internal condensation (in vapor space). The model can also be applied for a dead end (from a perspective of reacting gas) reactor. Model equations were solved using MATLAB. The equations and solution methodology were verified by comparing numerical solutions with available solutions of various limiting cases. A case of four phase hydrogenation of nitrobenzene to para amino phenol and aniline was considered to illustrate the application of the developed model. Key findings from the model were validated by comparing with laboratory scale experimental data. The model was then used to develop insights and guidelines for enhancing selectivity toward desired product. The developed model and presented results will be useful to develop general guidelines for design and optimization of GLLS reactors.

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“…It is noteworthy that for certain gases, Henry's law only applies up to a maximum pressure, beyond which gas solubility deviates from linear behaviour, and Henry's constant is no longer independent of pressure. This is the case, for instance, for the solubility of nitrogen in water, which strongly deviates from linearity beyond 100 atm, [3] and for the solubility of CO 2 in water owing to chemical absorption.…”

Section: Introductionmentioning

confidence: 99%

Direct Volumetric Measurement of Gas Oversolubility in Nanoliquids: Beyond Henry’s Law

et al. 2009

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The properties of condensed matter are strongly affected by confinement and size effects at the nanoscale. Herein, we measured by microvolumetry the increased solubility of H(2) in a series of solvents (CHCl(3), CCl(4), n-hexane, ethanol, and water) when confined in the cavities of mesoporous solids (gamma-alumina, silica, and MCM-41). Gas/liquid solubilities are enhanced by up to 15 times over the corresponding bulk values for nanoliquid sizes smaller than 15 nm as long as gas/liquid interfaces are mesoconfined in a porous network. Although Henry's law constant apparently no longer applies under these confinement, the concentration of dissolved H(2) still increases linearly with increasing pressure in the range 1-5 bar. We discuss the role and main implications of surface excess concentrations at mesoconfined gas/liquid interfaces in enhancing gas solubility.

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Solubility of hydrogen in toluene at elevated temperatures and pressures

Cited by 41 publications

References 5 publications

Capsule-controlled selectivity of a rhodium hydroformylation catalyst

Capsule-controlled selectivity of a rhodium hydroformylation catalyst

Modeling G-L-L-S Reactor: A Case of Hydrogenation of Nitrobenzene

Direct Volumetric Measurement of Gas Oversolubility in Nanoliquids: Beyond Henry’s Law

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