Gas phase methanol synthesis with Raman spectroscopy for gas composition monitoring

Abstract

Applicability of Raman spectroscopy for time-resolved gas composition monitoring during direct methanol synthesis via carbon dioxide hydrogenation is investigated.

A novel approach for kinetic measurements in exothermic fixed bed reactors: advancements in non-isothermal bed conditions demonstrated for methanol synthesis

“…Powder kinetics. Some of the most commonly used kinetic models for methanol synthesis are the models provided by Graaf 13,[34][35][36][37] and Vanden Bussche and Froment. 15,[38][39][40][41] Graaf's kinetic model is based on the stepwise hydration of CO and CO 2 with the rate determining step (rds) determined by an error discussion of the 48 possible combinations of rds of COhydrogenation, CO 2 -hydrogenation and reverse WGS (rWGS).…”

“…In order to enhance the applicability of the kinetic models described previously, their semi-empirical parameters (see eqn (20) and ( 21)) were fitted to the experimental results measured at the miniplant. The parameter fitting was subjected to the weighting factors in eqn (35). Other weighting factors could influence the fitting result along the Pareto front of the optimization problem.…”

Algebraic vibrational description of the symmetric isotopologues of CO2: 13C16O2, 12Bermúdez-Montaña1, Rodríguez-Arcos2, Carvajal3 et al. 2022Chemical Physics2000View full textAdd to dashboardCite

“…However this difference was proven not to be of high importance due to the fact that it was possible to simulate the Raman spectrum accurately with these functions for the principal isotopologue. In addition, in view of the predictive power of this approach in the study of vibrational structure of carbon dioxide, these results could be helpful in the verification of the assignments of experimental energies and used as complement to comprehensive databases [22,120] as well as they could give some support to the Raman observations [3,121,122]. In the near future, the simulation of the Raman spectra will be carried out for the additional isotopologues based on the new predictions reported in this study.…”

Process modelling and feasibility study of sorption-enhanced methanol synthesis

“…The kinetics of the methanol synthesis reactions were described with the kinetic interpretation proposed by Graaf et al [29,30] as their model was experimentally validated to accurately estimate methanol production rate on the employed catalyst [31]. Accounting for the in-situ removal of water, the readjusted values of the kinetic and adsorption constants were taken from our previous work [32] along with the parameters of the Langmuir adsorption isotherm used to evaluate the adsorbent equilibrium loading under the sorption-enhanced methanol synthesis conditions.…”