24小时热门版块排行榜

>论坛更新日志 (2897)
>虫友互识 (331)
>休闲灌水 (310)
>博后之家 (149)
>导师招生 (137)
>招聘信息布告栏 (102)
>论文投稿 (58)
>硕博家园 (41)
>育儿交流 (30)
>基金申请 (28)
>考博 (25)
>教师之家 (22)
>考研 (15)
>论文道贺祈福 (13)
>有机交流 (12)
>找工作 (12)

返回列表

当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖

ylww1988

铁虫 (正式写手)

C-EPI: 1
应助: 14 (小学生)
金币: 65.6
帖子: 438
在线: 746.5小时
虫号: 911598

[交流] 分享一篇二氧化碳 CO2 加氢还原全面热力学计算分析文献

该文献非常全面地分析了二氧化碳 CO2 加氢还原全面热力学计算分析文献
生成酸，醛，醇，烃都有详细分析。

http://www.sciencedirect.com.ezl ... i/S2095495616302704

Catalytic conversion of CO 2 into chemicals and fuels is an alternative to alleviate climate change and ocean acidification. The catalytic reduction of CO 2 by H 2 can lead to the formation of various products: carbon monoxide, carboxylic acids, aldehydes, alcohols and hydrocarbons. In this paper, a comprehensive thermodynamics analysis of CO 2 hydrogenation is conducted using the Gibbs free energy minimization method. The results show that CO 2 reduction to CO needs a high temperature and H 2 /CO 2 ratio to achieve a high CO 2 conversion. However, synthesis of methanol from CO 2 needs a relatively high pressure and low temperature to minimize the reverse water–gas shift reaction. Direct CO 2 hydrogenation to formic acid or formaldehyde is thermodynamically limited. On the contrary, production of CH 4 from CO 2 hydrogena- tion is the thermodynamically easiest reaction with nearly 100% CH 4 yield at moderate conditions. In addition, complex reactions with more than one product are also calculated in this work. Among the considered carboxylic acids (HCOOH, CH 3 COOH and C 2 H 5 COOH), propionic acid dominates in the prod- uct stream (selectivity above 90%). The same trend can also be found in the hydrogenation of CO 2 to aldehydes and alcohols with the major product of propionaldehyde and butanol, respectively. In the pro- cess of CO 2 hydrogenation to alkenes, low temperature, high pressure, and high H 2 partial pressure favor the CO 2 conversion. C 4 H 6 is the most thermodynamically favorable among all considered alkynes under different temperatures and pressures. The thermodynamic calculations are validated with experimental results, suggesting that the Gibbs free energy minimization method is effective for thermodynamically understanding the reaction network involved in the CO 2 hydrogenation process, which is helpful for the development of high-performance catalysts.

回复此楼