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欢迎关注煤科学量子化学课题组

本课题组隶属于太原理工大学煤科学与技术教育部和山西省重点实验室，现有3名教师和20余名博士和硕士研究生研究工作主要致力于运用量子化学计算方法和分子模拟技术，在微观水平上深入研究煤的分子结构，拓展关于煤结构与其物性和反应性的基础理论主持承担国家级、省部级和山西省项目10余项，在国内外期刊和会议上发表学术论文70余篇拥有20余台套服务器和Materials Studio等多种量子化学计算软件。课题组凌丽霞老师参加249thACS National Meeting and Exposition. Insights into the effect of coverage on CO adsorption and dissociationover Rh(1 0 0) surface: A theoretic. CH4 dissociation on the perfect and defective MgO(001) supported Ni4. Toward predicting the mercury removal by chlorine on the ZnO surface.

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本课题组隶属于太原理工大学煤科学与技术教育部和山西省重点实验室，现有3名教师和20余名博士和硕士研究生研究工作主要致力于运用量子化学计算方法和分子模拟技术，在微观水平上深入研究煤的分子结构，拓展关于煤结构与其物性和反应性的基础理论主持承担国家级、省部级和山西省项目10余项，在国内外期刊和会议上发表学术论文70余篇拥有20余台套服务器和Materials Studio等多种量子化学计算软件。课题组凌丽霞老师参加249thACS National Meeting and Exposition. Insights into the effect of coverage on CO adsorption and dissociationover Rh(1 0 0) surface: A theoretic. CH4 dissociation on the perfect and defective MgO(001) supported Ni4. Toward predicting the mercury removal by chlorine on the ZnO surface.

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本课题组隶属于太原理工大学煤科学与技术教育部和山西省重点实验室，现有3名教师和20余名博士和硕士研究生研究工作主要致力于运用量子化学计算方法和分子模拟技术，在微观水平上深入研究煤的分子结构，拓展关于煤结构与其物性和反应性的基础理论主持承担国家级、省部级和山西省项目10余项，在国内外期刊和会议上发表学术论文70余篇拥有20余台套服务器和Materials Studio等多种量子化学计算软件。课题组凌丽霞老师参加249thACS National Meeting and Exposition. Insights into the effect of coverage on CO adsorption and dissociationover Rh(1 0 0) surface: A theoretic. CH4 dissociation on the perfect and defective MgO(001) supported Ni4. Toward predicting the mercury removal by chlorine on the ZnO surface.

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2003年毕业于太原理工大学化工学院，获工学学士学位 2006年毕业于太原理工大学煤科学与技术教育部和山西重点实验室，获工学硕士学位并留校任教 2009 2013年于太原理工大学获得博士学位。长期从事煤化工反应过程中的多相催化基础理论研究，系统研究了二氧化碳加氢合成甲醇、合成气合成乙醇、钴基费托合成、甲醇氧化羰基化合成碳酸二甲酯等重要一碳反应中催化剂的结构调变与催化性能调控提出了合成气中引入甲烷并通过“甲烷-合成气两步法合成乙醇”等新合成路线，为煤化工反应中催化剂设计和工艺开发提供理论指导。 Riguang Zhang, Guiru Wang, Baojun Wang, Lixia Ling. Insight into the Effect of Promoter Mn on Ethanol Formation from Syngas on a Mn-Promoted MnCu(211) Surface: A Comparison with a Cu(211) Surface. J Phys. Chem. C. 2014, 118(10): 5243-5254. 2013, 305: 238-255.

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欢迎关注煤科学量子化学计算课题组

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本课题组隶属于太原理工大学煤科学与技术教育部山西省重点实验室，课题组研究领域主要包括将量子化学计算方法应用于煤分子结构的研究，拓展煤结构的理论认识，使煤结构与反应性的研究深入到微观水平，并定量地理解煤大分子结构与宏观性质的联系热解和气化煤气中含硫化合物的转化和脱除，为金属氧化物脱硫催化剂的优化匹配及其动态变化特性的研究提供理论依据构造煤模型与甲烷的吸附-解吸性质，以期阐明构造煤微观结构与甲烷的耦合机理以及与实. The adsorption and dissociation of methane on cobalt surfaces: thermochemistry and reactio. Toward predicting the mercury removal by chlorine on the ZnO surface. The effect of γ-Al2O3 surface hydroxylation on the stability and nucleation of Ni in Ni/γ-. 版权所有太原理工大学 2003 晋ICP证020029号.

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Dr Bao-Jun Wang, born in. Province, is a professor of Taiyuan University of Technology. He got his PhD degree from Key Laboratory of the Coal Science and Technology (Taiyuan University of Technology), Ministry of Education and Shanxi Province majoring in Chemical Engineering and Technology in 2006, MS degree from Molecular Science Institute of Shanxi University majoring in Physical Chemistry in 1992, and BA degree from Chemical department of. 版权所有太原理工大学 2003 晋ICP证020029号.

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欢迎关注煤科学量子化学课题组

本课题组隶属于太原理工大学煤科学与技术教育部和山西省重点实验室，现有3名教师和20余名博士和硕士研究生研究工作主要致力于运用量子化学计算方法和分子模拟技术，在微观水平上深入研究煤的分子结构，拓展关于煤结构与其物性和反应性的基础理论主持承担国家级、省部级和山西省项目10余项，在国内外期刊和会议上发表学术论文70余篇拥有20余台套服务器和Materials Studio等多种量子化学计算软件。课题组凌丽霞老师参加249thACS National Meeting and Exposition. Insights into the effect of coverage on CO adsorption and dissociationover Rh(1 0 0) surface: A theoretic. CH4 dissociation on the perfect and defective MgO(001) supported Ni4. Toward predicting the mercury removal by chlorine on the ZnO surface.

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