A Theoretical and Experimental Study on Esterification of Citric Acid with the Primary Alcohols and the Hydroxyl Groups of Cellulose Chain (n = 1-2) in Parched Condition

<table class="table-group" id="tab4"><tr><td><table class="table"><tr><td class="thead-hr" colspan="5"><hr/></td></tr><tr class="thead"><td class="align_left">No.</td><td class="align_center">Substituent R</td><td class="align_center">Ea4</td><td class="align_center">Ea5</td><td class="align_center">Ea6</td></tr><tr><td class="thead-hr" colspan="5"><hr/></td></tr><tr><td class="align_left">1</td><td class="align_center">H</td><td class="align_center">25.0</td><td class="align_center">28.2</td><td class="align_center">21.1</td></tr><tr><td class="align_left">2</td><td class="align_center">1G</td><td class="align_center">27.8</td><td class="align_center">30.3</td><td class="align_center">24.1</td></tr><tr><td class="align_left">3</td><td class="align_center">2G</td><td class="align_center">30.2</td><td class="align_center">33.0</td><td class="align_center">27.0</td></tr><tr class="table-tr"><td colspan="5"><hr class="tbody-hr"/></td></tr></table></td></tr><tr class="table-fn"><td><div>The units of Ea4, Ea5, and Ea6 are kcal/mol. </div></td></tr></table>

<div>Energy barrier of ring opening step when using ONIOM model.</div>

Journal of Chemistry

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Table 4

Table 4: A Theoretical and Experimental Study on Esterification of Citric Acid with the Primary Alcohols and the Hydroxyl Groups of Cellulose Chain (n = 1-2) in Parched Condition

Table 4 | A Theoretical and Experimental Study on Esterification of Citric Acid with the Primary Alcohols and the Hydroxyl Groups of Cellulose Chain (n = 1-2) in Parched Condition 