Facile conversion of levulinic acid to γ-valerolactone using a high surface area magnetically separable Ni/NiO catalyst†,Sustainable Energy & Fuels

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Facile conversion of levulinic acid to γ-valerolactone using a high surface area magnetically separable Ni/NiO catalyst†
Sustainable Energy & Fuels ( IF 5.0 ) Pub Date : 2018-06-27 00:00:00 , DOI: 10.1039/c8se00274f
Hari Singh _{1,

2,

3,

4,

5} , Nishant Iyengar _{1,

2,

3,

4,

5} , Rajkumar Yadav _{1,

2,

3,

4,

5} , Aditya Rai _{1,

2,

3,

4,

5} , Anil K. Sinha _{1,

2,

3,

4,

5}

Affiliation

A study on the conversion of levulinic acid (LA) to γ-valerolactone (GVL) and methyl levulinate (ML) has been done using a high surface area Ni/NiO catalyst. The hydrogenation of levulinic acid over the Ni/NiO catalyst showed high mass activity for γ-valerolactone formation (16 mmol g_cat⁻¹ h⁻¹) at 110 °C at 40 bar pressure. The presence of acidity effects the conversion of LA to GVL and ML. First-principles DFT calculations were used to calculate the adsorption energy and transition state for the reaction. The Ni/NiO catalyst showed 99% LA conversion and 94% GVL selectivity at 110 °C in methanol, which is higher than the reported activity of Ni-based catalysts (RANEY® Ni and Ni/Al₂O₃).

中文翻译：

使用高表面积可磁分离的Ni / NiO催化剂将乙酰丙酸轻松转化为γ-戊内酯†

使用高表面积的Ni / NiO催化剂对乙酰丙酸（LA）转化为γ-戊内酯（GVL）和乙酰丙酸甲酯（ML）进行了研究。在Ni / NiO催化剂上乙酰丙酸的加氢显示出在110°C和40 bar压力下形成γ-戊内酯的高质量活性（16 mmol g _cat^-1 h ^-1）。酸度的存在会影响LA向GVL和ML的转化。第一性原理DFT计算用于计算反应的吸附能和过渡态。Ni / NiO催化剂在110°C的甲醇中显示出99％的LA转化率和94％的GVL选择性，高于报道的Ni基催化剂（RANEY®Ni和Ni / Al ₂ O ₃）的活性。

更新日期：2018-06-27

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