Pseudo-Thermodynamic Techniques for the Estimation of Chemical Reaction Rates and Equilibria

Wong, K. F.; Eckert, Charles A.

doi:10.1021/ie50729a005

Cited by 5 publications

(2 citation statements)

References 18 publications

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“…This was originally addressed theoretically. 131 The pioneering work of Gilbert-Mercier 132 rationalized the solvent effects empirically on selectivity for the synthesis of fine chemicals. After that, the solvent has been considered as an additional key parameter.…”

Section: ■ Ideal Properties Of An Industrial Catalytic Materialsmentioning

confidence: 99%

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Catalytic Materials: Concepts to Understand the Pathway to Implementation

Melián‐Cabrera

2021

Ind. Eng. Chem. Res.

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The catalytic process mediated by solid materials plays an important role in current human wealth and environmental protection. It enables the production of clean fuels and chemical products, and it ultimately allows the mitigation of undesired gas or liquid emissions to the environment. These features are highly recognized by the scientific community, industrial sector, and society. Despite this relevance, the hurdles that must be overcome to become industrially relevant are less known. There are many demanding requirements. This commentary reviews, from an academic point of view, the implementation requirements of a catalytic material. The motivation for this perspective article comes from the existing gap between academic research and industrial application. This account first defines what a catalytic material is, from the structural and application point of views. It then locates the catalytic material in an entire system analysis. This includes active sites, reactor system, the entire plant and the integration with other processes. Subsequently, the properties of an ideal industrial catalyst are described, such as activity, selectivity, volumetric efficiency, compatibility, stability, and economics. Finally, it discusses challenges related to the next stages in the process development. These may limit the application, although the material is attractive at the fundamental scale. The discussed topics provide an overview of the fascinating world of catalytic materials and their challenges. The expectation is that more catalysis-based concepts will contribute in the future to more sustainable technologies.

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Section: ■ Ideal Properties Of An Industrial Catalytic Materialsmentioning

confidence: 99%

“…In liquid-phase reactions, the solvent can play a significant role in tuning the selectivity. This was originally addressed theoretically . The pioneering work of Gilbert-Mercier rationalized the solvent effects empirically on selectivity for the synthesis of fine chemicals.…”

Section: Ideal Properties Of An Industrial Catalytic Materialsmentioning

confidence: 99%

Catalytic Materials: Concepts to Understand the Pathway to Implementation

Melián‐Cabrera

2021

Ind. Eng. Chem. Res.

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Molecular thermodynamics for chemical reaction design

1974

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Various techniques of molecular thermodynamics and solution theory have been applied, through the transition state theory, to problems in chemical kinetics. These include experimental techniques for ascertaining the structure and properties of the transition states for various classes of reactions, plus analytical methods for using this information to predict the effect of solvents or reactant structure on chemical reaction rates. Such methods provide the chemical engineer with an additional parameter to use in the optimal design of reaction systems–that is, the chemistry of the reaction itself.

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Physicochemical criteria for reverse osmosis separation of alcohols, phenols, and monocarboxylic acid in aqueous solutions using porous cellulose acetate membranes

Matsuura

Sourirajan

1971

J of Applied Polymer Sci

100

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SynopsisReverse osmosis data of 32 different alcohols and phenols and 22 daerent monocarboxylic acids in aqueous solutions in the concentration range 0.0001 to 0.007M (-100 ppm in most cases) have been studied using porous cellulose acetate membranes at 250 psig. Solute separation data for alcohols and phenols are correlated with Av8 (shift in the OH band maximum in the IR spectra), and those for the monocarboxylic acids are correlated with K . (dissociation constant) and the degree of dissociation of the molecule.Solute separation decreases with increase in Av8 for alcohols and phenols. The solute separation-versus-K. correlation for acids passes through a minimum, and solute separation always increases with increase in the degree of dissociation. The separation data are also correlated with Taft and Harnmett numbers which represent the effect of the substituent group on the polar effect of the molecule. The product rate data show a general tendency to decrease with decrease in solute separation in all cases. These results show that, with respect to the systems considered, solute separation in reverse osmosis is governed by the hydrogen bonding ability of the organic molecule when it is essentially undissociated and by electrostatic repulsion of ions when the molecule is partially or completely dissociated. Thus, data on Av8 for alcohols and phenols, and those on K , and degree of dissociation for monocarboxylic acids, constitute precise physicochemical criteria for reverse osmosis separation of the above solutes in aqueous solutions using porous cellulose acetate membranes.

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Pseudo-Thermodynamic Techniques for the Estimation of Chemical Reaction Rates and Equilibria

Cited by 5 publications

References 18 publications

Catalytic Materials: Concepts to Understand the Pathway to Implementation

Catalytic Materials: Concepts to Understand the Pathway to Implementation

Molecular thermodynamics for chemical reaction design

Physicochemical criteria for reverse osmosis separation of alcohols, phenols, and monocarboxylic acid in aqueous solutions using porous cellulose acetate membranes

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