The relationship between Young's modulus of elasticity of organic solids and their molecular structure

Roberts, R.J.; Rowe, R.C.; York, Peter

doi:10.1016/0032-5910(91)80176-j

Cited by 113 publications

(70 citation statements)

References 12 publications

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“…The resulting values are comparable to protein crystals (165 MPa), [29] hyperbranced macromolecules (190 MPa), [27] and low-density polyethylene (100 MPa), [33] but up to 25 times softer than crystalline acetaminophen (8.4 GPa), [34] high-density polyethylene (7.5 GPa), [33] and aspirin (7.1 GPa). [35] Two important conclusions can be drawn from the AFM data. First, the crystals clearly become less stiff following the SCSC transformation.…”

mentioning

confidence: 95%

Softening and Hardening of Macro‐ and Nano‐Sized Organic Cocrystals in a Single‐Crystal Transformation

Karunatilaka¹,

Bučar²,

Ditzler³

et al. 2011

Angew Chem Int Ed

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confidence: 95%

Softening and Hardening of Macro‐ and Nano‐Sized Organic Cocrystals in a Single‐Crystal Transformation

Karunatilaka¹,

Bučar²,

Ditzler³

et al. 2011

Angew Chem Int Ed

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“…These values should be compared to Youngs moduli of 1-15 GPa for many molecular solids. [29][30][31][32] Second, for the two crystals where aY oungs modulus could be measured for different crystal faces (a-glycine and l-alanine), the results are strongly facet-dependent:variance up to 70 % for a-glycine and 65 %f or l-alanine.…”

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confidence: 98%

Unusually Large Young’s Moduli of Amino Acid Molecular Crystals

et al. 2015

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Young's moduli of selected amino acid molecular crystals were studied both experimentally and computationally using nanoindentation and dispersion-corrected density functional theory. The Young modulus is found to be strongly facet-dependent, with some facets exhibiting exceptionally high values (as large as 44 GPa). The magnitude of Young's modulus is strongly correlated with the relative orientation between the underlying hydrogen-bonding network and the measured facet. Furthermore, we show computationally that the Young modulus can be as large as 70-90 GPa if facets perpendicular to the primary direction of the hydrogen-bonding network can be stabilized. This value is remarkably high for a molecular solid and suggests the design of hydrogen-bond networks as a route for rational design of ultra-stiff molecular solids.

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“…Mechanical and physicochemical predictions from molecular structure Several attempts have been made at predicting the physicochemical properties of materials from their molecular and crystal structure (Roberts et al 1991(Roberts et al , 1995(Roberts et al , 2000Newton et al 1993 ;Sheridan et al 1995 ;Payne et al 1996Payne et al , 1999. The ability of a powder to deform and adhere during compression is critical in tablet manufacture.…”

Section: Predictions Based On the Physicochemical Properties Of Raw Mmentioning

confidence: 99%

“…The need for eOE ective and reliable prediction of mechanical properties has stimulated many publications in this area. Roberts et al (1991Roberts et al ( , 1995 and Newton et al (1993) originally used the cohesive energy density of powders to predict the tensile strength and Young' s modulus of compacts prepared from a series of simple molecular solids. It was concluded that while trends could be predicted, the exact magnitude of the change could not be predicted, possibly as a result of the in¯uence of particle size, changes in deformation mechanics with pressure and the unpredictable nature of cracks and aws within the material.…”

Section: Predictions Based On the Physicochemical Properties Of Raw Mmentioning

confidence: 99%

Predictive and correlative techniques for the design, optimisation and manufacture of solid dosage forms

Hardy

Cook

2003

Journal of Pharmacy and Pharmacology

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There is much interest in predicting the properties of pharmaceutical dosage forms from the properties of the raw materials they contain. Achieving this with reasonable accuracy would aid the faster development and manufacture of dosage forms. A variety of approaches to prediction or correlation of properties are reviewed. These approaches have variable accuracy, with no single technique yet able to provide an accurate prediction of the overall properties of the dosage form. However, there have been some successes in predicting trends within a formulation series based on the physicochemical and mechanical properties of raw materials, predicting process scale-up through mechanical characterisation of materials and predicting product characteristics by process monitoring. Advances in information technology have increased predictive capability and accuracy by facilitating the analysis of complex multivariate data, mapping formulation characteristics and capturing past knowledge and experience.

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The relationship between Young's modulus of elasticity of organic solids and their molecular structure

Cited by 113 publications

References 12 publications

Softening and Hardening of Macro‐ and Nano‐Sized Organic Cocrystals in a Single‐Crystal Transformation

Softening and Hardening of Macro‐ and Nano‐Sized Organic Cocrystals in a Single‐Crystal Transformation

Unusually Large Young’s Moduli of Amino Acid Molecular Crystals

Predictive and correlative techniques for the design, optimisation and manufacture of solid dosage forms

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