Raw data of methane hydrate equilibrium / PXRD measurements in system CH4 – H2O – dimethyl sulfoxide and ice freezing points of DMSO aqueous solutions

The raw data from the measurements of the methane hydrate equilibrium conditions in the methane-water-dimethyl sulfoxide system are given in the “Hydrate equilibrium (CH4-DMSO-H2O)” archive. A total of 54 equilibrium points have been measured. For each of them there is a separate .xlsx file in the archive with columns of numerical values of the following parameters measured by sensors of GHA350 autoclave: time, temperature (°C), gauge pressure (bar), stirrer speed (rpm). The file name represents the system under study and the point number. For example, the file name “5% DMSO_point 13” corresponds to the raw data obtained from measurements of the 13th equilibrium point (numbering from Table 1 of data paper [2]) for a 5 mass% aqueous solution of dimethyl sulfoxide. Cells D1:F3 of each file display numerical values of the masses and feed concentrations of the components in the aqueous phase.
The raw data presented in the archive “PXRD analysis (CH4-DMSO-H2O)” are related to the powder X-ray diffraction study of the phase composition of gas hydrate samples synthesized from DMSO aqueous solutions. Diffractograms were recorded for 3 samples with a mass fraction of dimethyl sulfoxide in aqueous solution of 5, 55, and 20 mass%. For each sample, a separate file containing numerical values of 2θ (degree) and signal intensity (a.u.) is provided.
The raw data from the determination of ice freezing temperatures of aqueous DMSO solutions at atmospheric pressure are given in the “Ice freezing (H2O-DMSO)” archive. The archive includes raw data from sixteen ice freezing point measurements. The file name indicates the mass fraction of DMSO and the point number (numbering from Table 6 of data paper [2]). Each file has a column with the measured temperature values of the sample at the specified time (one temperature reading every two seconds).

The raw data is linked to the papers:
[1] Anton P. Semenov, Rais I. Mendgaziev, Andrey S. Stoporev, Vladimir A. Istomin, Daria V. Sergeeva, Andrey G. Ogienko, Vladimir A.Vinokurov (2021) The pursuit of a more powerful thermodynamic hydrate inhibitor than methanol. Dimethyl sulfoxide as a case study // Chemical Engineering Journal, 423, 130227 DOI: 10.1016/j.cej.2021.130227
[2] Anton P. Semenov, Rais I. Mendgaziev, Andrey S. Stoporev (2023) Dataset for the experimental study of dimethyl sulfoxide as a thermodynamic inhibitor of methane hydrate formation // Data in Brief, 48, 109283 DOI: 10.1016/j.dib.2023.109283

甲烷-水-二甲基亚砜（dimethyl sulfoxide, DMSO）体系甲烷水合物平衡条件的实测原始数据，收录于"水合物平衡（CH4-DMSO-H2O）"存档数据集。本数据集共测得54组平衡点数据，每组数据对应存档内一份独立的.xlsx文件，文件中包含GHA350型高压釜传感器采集的如下参数数值列：时间、温度（℃）、表压（bar）、搅拌转速（rpm）。文件名标注了研究体系与测点编号，例如文件名为"5% DMSO_point 13"的文件，对应二甲基亚砜质量分数为5%的水溶液体系下第13组平衡点的原始实测数据（测点编号源自数据集论文[2]的表1）。每份文件的D1:F3单元格，分别记录了水相各组分的质量与进料浓度数值。

收录于"粉末X射线衍射分析（CH4-DMSO-H2O）"存档数据集的原始数据，对应以二甲基亚砜水溶液为原料合成的甲烷水合物样品物相组成的粉末X射线衍射（Powder X-ray Diffraction, PXRD）分析研究。本研究针对3组二甲基亚砜水溶液质量分数分别为5%、55%与20%的样品采集了衍射图谱；每组样品对应一份独立文件，文件包含2θ（°）与信号强度（任意单位，a.u.）的数值数据。

常压下二甲基亚砜水溶液冰点测定的原始数据，收录于"冰相冻结（H2O-DMSO）"存档数据集。本数据集共包含16组冰点实测数据，文件名标注了二甲基亚砜的质量分数与测点编号（测点编号源自数据集论文[2]的表6）。每份文件包含一列随指定时间采集的样品温度数据（每2秒记录一次温度读数）。

本数据集关联以下学术论文：
[1] Anton P. Semenov, Rais I. Mendgaziev, Andrey S. Stoporev, Vladimir A. Istomin, Daria V. Sergeeva, Andrey G. Ogienko, Vladimir A. Vinokurov (2021) 探寻比甲醇更高效的热力学水合物抑制剂——以二甲基亚砜为例 // 《化学工程杂志》（Chemical Engineering Journal）, 423, 130227 DOI: 10.1016/j.cej.2021.130227
[2] Anton P. Semenov, Rais I. Mendgaziev, Andrey S. Stoporev (2023) 二甲基亚砜作为甲烷水合物形成热力学抑制剂的实验研究数据集 // 《数据简报》（Data in Brief）, 48, 109283 DOI: 10.1016/j.dib.2023.109283