# Effect of temperature in methanol conversion to dimethyl ether (DME) and light hydrocarbons with beta zeolite --- Provenance for this README -------------------------- * File name: README.MD * Authors: Puneet Kumar Chaudhary, Racha Arundhathi, Mahesh W Kasture, Chanchal Samanta, Rakesh Vankayala and Chiranjeevi Thota * Date created: 2023-02-01 Dataset Version and Release History ----------------------------------- * Current Version: * Number: 1.0.0 * Date: 2023-02-01 * Persistent identifier: DOI: 10.5061/dryad.q573n5tnx * Summary of changes: n/a * Embargo Provenance: n/a * Scope of embargo: n/a * Embargo period: n/a Contact Information ------------------- * Name: Racha Arundhathi * Affiliations: Corporate Research & Development Centre, Bharat Petroleum Corporation Limited, Greater Noida, Uttar Pradesh-201306, India * ORCID ID: 0000-0003-2338-4871 * Email: rachaarundhathi@bharatpetroleum.in * Address: e-mail preferred Methodological Information ========================== * Methods of data collection/generation: see manuscript for details - - - Data and File Overview ====================== Summary Metrics --------------- * File count: 49 Files, 14 Folders * Total file size: 9.62 MB * File formats: .csv, .xlx, .txt ## Description of the data and file structure --------------------------------------------- The dataset comprises the raw data of all the catalyst characterization, activity test GC data, calculation sheets, characterization data processing sheets. The dataset is structured according to the Table and Figure in the submitted manuscript titled "RSOS-230100 - Effect of temperature in methanol conversion to dimethyl ether (DME) and light hydrocarbons with beta zeolite". The reported data in the figures and tables can be deduced from the respective file in the dataset. File/Folder details ----------------- Folder Files Details ------ ------ Figure 2 BET for zeolite extrudate: BET data for fresh beta zeolite extrudates BET for zeolite powder : BET data for fresh beta zeolite powder **The .xlx files contain N2 adsorption-desorption and pore size distribution data. The figure in the manuscript reports Relative Pressure (P/Po) Vs Quantity Adsorbed (cm³/g STP) plot and can be identified in the "BET report" column in the data file. Pore size distribution data can be found in the "BJH Adsorption dV/dr Pore Volume" column. Moreover, the surface areas and pore volumes can be identified under "Summary report column". Figure 3 (a) NH3 TPD Fresh catalyst : NH3 TPD data for fresh beta zeolite extrudates (b) NH3 TPD - SPENT CATALYST 300C : NH3 TPD data for spent beta zeolite extrudates after reaction at 300 degree C (c) NH3 TPD - SPENT CATALYST 350C : NH3 TPD data for spent beta zeolite extrudates after reaction at 350 degree C (d) NH3 TPD - SPENT CATALYST 400C : NH3 TPD data for spent beta zeolite extrudates after reaction at 400 degree C (e) NH3 TPD - SPENT CATALYST 450C : NH3 TPD data for spent beta zeolite extrudates after reaction at 450 degree C **The .xlx file contain NH3 TPD data and the figure 3 data can be identified under "Signal (a.u.) vs. Temperature" column. Figure 4 and 5 MB RTR2 EXP43 450C : Activity data of beta zeolite at 450 degree C MB RTR2 EXP44 350C : Activity data of beta zeolite at 350 degree C MB RTR2 EXP46 300C : Activity data of beta zeolite at 300 degree C MB RTR2 EXP47 400C : Activity data of beta zeolite at 400 degree C **The reported .xlx files contain the activity data of the catalyst at different temperatures. Moreover the average conversion and selectivity data is provided below the "conversion and selectivity" column. The average values are separated by the main data frame with an empty row. The respective abbreviations are as follows. TOS: time-on-stream (h) MeOH: Methanol RGA: Refinary gas analyzer (Provides the GC data of the gaseous samples) GC: Gas chromatography (GC data for the liquid product sample) DME: Dimethyl ether HMB: Hexamethyl benzene Figure 7 (a) : TGA data for fresh beta zeolite (b) : TGA data for spent beta zeolite after reaction at 300 degree C (c) : TGA data for spent beta zeolite after reaction at 350 degree C (d) : TGA data for spent beta zeolite after reaction at 400 degree C (e) : TGA data for spent beta zeolite after reaction at 450 degree C TGA : TGA data analysis **The .txt files show the variation of catalyst weight with the temperature. Moreover, the .xlx file (TGA) reports the analysis of the TGA data which shows % weight loss vs temperature. The % weight loss and the corresponding temperature data are highlighted in the excel sheets. Moreover, the weight percentage at 200 and 800 degree C are highlighted for instant quantification of the deposited carbon. For details, please refer to the manuscript. Figure 8 (a) M.K Catalyst cal 550_1 XRD : XRD data of fresh beta zeolite (b) RTR-2 EXP-46 Spent catalyst MK cat: XRD data of spent beta zeolite after reaction at 300 degree C (c) RTR-2 EXP-44 (Spent catalyst)mk cat: XRD data of spent beta zeolite after reaction at 350 degree C (d) RTR-2 EXP-47 Spent catalyst MK CAT: XRD data of spent beta zeolite after reaction at 400 degree C (e) RTR -2Exp-43 Spent cat 450 : XRD data of spent beta zeolite after reaction at 450 degree C **The .xlx files report the XRD data of the fresh and spent samples as the details provided above. Figure 9 Cycle evaluation : Regeneration cycle test data **The .xlx file contain the average data of the methanol conversion and DME selectivity for the 4 different cycles of 70 hours. Figure S1 (a) M.K catalyst without calc and binder : XRD data of protonated beta zeolite powder (b) MK Cat. without binder;calcined 550C : XRD data of calcined beta zeolite powder (c) M.K Catalyst cal 550_1 XRD : XRD data of beta zeolite extrudate **The .xlx files report the XRD data of the fresh beta zeolite samples as the details provided above. Figure S2 MB RTR2 EXP43 450C : Activity data of beta zeolite at 450 degree C MB RTR2 EXP44 350C : Activity data of beta zeolite at 350 degree C MB RTR2 EXP46 300C : Activity data of beta zeolite at 300 degree C MB RTR2 EXP47 400C : Activity data of beta zeolite at 400 degree C **The reported .xlx files contain the activity data of the catalyst at different temperatures. Moreover the average conversion and selectivity data is provided below the "conversion and selectivity" column. The average values are separated by the main data frame with a empty row. The respective abbreviations are as follows. TOS: time-on-stream (h) MeOH: Methanol RGA: Refinary gas analyzer (Provides the GC data of the gaseous samples) GC: Gas chromatography (GC data for the liquid product sample) DME: Dimethyl ether HMB: Hexamethyl benzene Figure S5 and S6 (a) BET for zeolite extrudate : BET data for fresh beta zeolite extrudates (b) RTR-2 EXP-46 SPENT CATALYST CAL-550 C : BET data for spent beta zeolite extrudates after reaction at 300 degree C (c) RTR-2 EXP-44 SPENT CATALYST CAL-550 C : BET data for spent beta zeolite extrudates after reaction at 350 degree C (d) RTR-2 EXP-47 SPENT CATALYST CAL-550 C : BET data for spent beta zeolite extrudates after reaction at 350 degree C (e) RTR-2 EXP-43 SPENT CATALYST CAL-550 C : BET data for spent beta zeolite extrudates after reaction at 350 degree C **The .xlx files contain N2 adsorption-desorption and pore size distribution data. The figure in the manuscript reports Relative Pressure (P/Po) Vs Quantity Adsorbed (cm³/g STP) plot and can be identified in the "BET report" column in the data file. Pore size distribution data can be found in the "BJH Adsorption dV/dr Pore Volume" column. Moreover, the surface areas and pore volumes can be identified under "Summary report column". The individual file content detail is aforementioned. Table 1 CRYSTALLITE SIZE AND CRYSTALLINITY CALCULATION beta zeolite **The .xlx file provides the crystallite size and crystallinity calculation. The abbreviations are as follows. Lamda: indicates wave number FWHM: full width half maxima Table 2 MB RTR2 EXP43 450C : Activity data of beta zeolite at 450 degree C MB RTR2 EXP46 300C : Activity data of beta zeolite at 300 degree C **The reported .xlx files contain the activity data of the catalyst at different temperatures. Moreover the average conversion and selectivity data is provided below the "conversion and selectivity" column. The average values are separated by the main data frame with a empty row. The respective abbreviations are as follows. TOS: time-on-stream (h) MeOH: Methanol RGA: Refinary gas analyzer (Provides the GC data of the gaseous samples) GC: Gas chromatography (GC data for the liquid product sample) DME: Dimethyl ether HMB: Hexamethyl benzene Table 3 NH3 TPD [(a) NH3 TPD Fresh catalyst] : NH3 TPD data for fresh beta zeolite extrudates NH3 TPD [(b) NH3 TPD - SPENT CATALYST 300C]: NH3 TPD data for spent beta zeolite extrudates after reaction at 300 degree C NH3 TPD [(c) NH3 TPD - SPENT CATALYST 350C]: NH3 TPD data for spent beta zeolite extrudates after reaction at 350 degree C NH3 TPD [(d) NH3 TPD - SPENT CATALYST 400C]: NH3 TPD data for spent beta zeolite extrudates after reaction at 400 degree C NH3 TPD [(e) NH3 TPD - SPENT CATALYST 450C]: NH3 TPD data for spent beta zeolite extrudates after reaction at 450 degree C **The .xlx file contain NH3 TPD data and can be identified under "Signal (a.u.) vs. Temperature" column. Moreover, the respective NH3 absorption amount can be found in the "Summary report" column. TGA [Freah] : TGA data for fresh beta zeolite TGA [Spent 300C] : TGA data for spent beta zeolite after reaction at 300 degree C TGA [Spent 350C] : TGA data for spent beta zeolite after reaction at 350 degree C TGA [Spent 400C] : TGA data for spent beta zeolite after reaction at 400 degree C TGA [Spent 450C] : TGA data for spent beta zeolite after reaction at 450 degree C TGA : TGA data analysis **The .txt files show the variation of catalyst weight with the temperature. Moreover, the .xlx file (TGA) reports the analysis of the TGA data which shows % weight loss vs temperature. The % weight loss and the corresponding temperature data are highlighted in the excel sheets. Moreover, the weight percentage at 200 and 800 degree C are highlighted for instant quantification of the deposited carbon. For details, please refer to the manuscript.