Abstract
The methanol-to-hydrocarbons (MTH) process is a very advantageous way to upgrade methanol to more valuable commodity chemicals such as light alkenes and gasoline. There is general agreement that, at steady state, the process operates via a dual cycle “hydrocarbon pool” mechanism. This mechanism defines a minimum number of reactants, intermediates, and products that must be present for the reaction to occur. In this paper, we calculate (by three independent methods) the volume required for a range of compounds that must be present in a working catalyst. These are compared to the available volume in a range of zeolites that have been used, or tested, for MTH. We show that this straightforward comparison provides a means to rationalize the product slate and the deactivation pathways in zeotype materials used for the MTH reaction.
Highlights
The (MTH)process is isa averyThemethanol-to-hydrocarbons methanol-to-hydrocarbons process veryuseful usefulway waytotoupgrade upgradea a commodity chemical to more valuable materials such as light alkenes and gascommodity chemical to more valuable materials such as light alkenes and oline [1].The process uses an acid catalyst, usually the proton form of ZSM-5, H-ZSM-5, gasoline [1]
The data in column 3 of Table 1 was generated from the crystal structures [13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32], which were obtained from the Cambridge Structural Database (CSD) [62]
We have shown that the behaviour of a range of zeolites in the MTH
Summary
The process uses an acid catalyst, usually the proton form of ZSM-5, H-ZSM-5, gasoline [1]. The process uses an acid catalyst, usually the proton form of ZSM-5, Halthough used when olefins (methanol-to-olefins, MTO) are MTO) the target. ZSM-5, SAPO-34 is SAPO-34 is used when olefins Its discovery [4] in the[4]. The1970s reaction has been extensively investigated product. Since its discovery in the the reaction has been extensively investi[5,6]. The reaction proceedsproceeds throughthrough three stages: induction phase, operation at steadyat gated [5,6]. 2. Algorithm for generation of unique SMILES notation.
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