Calcium carbonate (CaCO₃) possesses unique advantages as a carrier , however, some critical issues need to be addressed, such as low productivity, irregular structures, and weak adsorption ability. Herein, hollow spherical vaterite CaCO₃ (HSVC) was synthesized in an improved spray apparatus with high mass transfer using carbon dioxide (CO₂) as a template and was in turn applied for papain immobilization. Results revealed that HSVC can be prepared cleanly and efficiently with a regular spherical morphology having a surface area of 17.03 m²·g⁻¹ and immobilization amount of 1068 mg·g⁻¹ for papain. Interestingly, the pH stability, temperature stability and reusability of papain were dramatically improved after immobilization by HSVC. Molecular dynamics simulation (MDS) disclosed that the formation of CO₃^2– and Ca²⁺ ion pairs was the key factor for the preparation of HSVC and the binding energy (BE) between amino acid molecules and vaterite (1 1 0) facilitated the ultra-high adsorption of papain. The decrease in BE of system after immobilization facilitated high catalytic capacity of the immobilized papain. The prepared HSVC exhibits promising prospects in enzymes immobilization based applications.

碳酸钙(CaCO ₃ )作为载体具有独特的优势，但仍存在产能低、结构不规则、吸附能力弱等关键问题。_{在此，使用二氧化碳(CO 2} )作为模板，在具有高传质的改进喷雾装置中合成了空心球形球霰石CaCO ₃ (HSVC)，并依次应用于木瓜蛋白酶固定化。结果表明，可以清洁、高效地制备出HSVC，其形貌规则为球形，表面积为17.03 m ² ·g ^-1，固定量为1068 mg·g ^-1对于木瓜蛋白酶。有趣的是，经HSVC固定后，木瓜蛋白酶的pH稳定性、温度稳定性和可重复使用性得到显着改善。_{分子动力学模拟（MDS）揭示了CO 3} ^2–和Ca ²⁺离子对的形成是HSVC制备的关键因素，氨基酸分子与球霰石（1  1  0）之间的结合能（BE）促进了HSVC的形成。木瓜蛋白酶的超高吸附性。固定化后体系BE的降低有利于固定化木瓜蛋白酶的高催化能力。制备的 HSVC 在基于酶固定化的应用中表现出广阔的前景。